ComputOrgChem Unisa

Publications

  1. De Vita S., González-Burgos E., Terracciano S., Chini M.G., Gómez-Serranillos M.P., Bifulco G., “Discovery of new antioxidant molecules enhancing the Nrf2-mediated pathway: Docking studies and biological evaluation”, Int. J. Mol. Sci., 2026, 27, 1862. https://doi.org/10.3390/ijms27041862
  2. Gazzillo E., Rocha G., Chini M.G., Lauro G., Angulo J., Bifulco G., “A 5-Br-1-propylisatin derivative as a promising BRD9 ligand: Insights from computational and STD NMR investigation”, Molecules, 2026, 31, 582. https://doi.org/10.3390/molecules31040582
  3. Ciaglia T., D’Avino D., Jordan P.M., Di Micco S., Musella S., Engelbrecht H., Peltner L.K., Di Sarno V., Merciai F., Perna S., Smaldone G., Di Matteo F., Napolitano V., Stimoli R., Bifulco G., Pepe G., Sommella E.M., Basilicata M.G., Aquino G., Gomez-Monterrey I.M., Campiglia P., Ostacolo C., Werz O., Rossi A., Bertamino A., Manfra M., “An adamantylureido-benzylamide aniline as FLAP/sEH dual inhibitor: Rational design, in vitro and in vivo lipidomic profiling”, Eur. J. Med. Chem., 2026, 302, 118338. https://doi.org/10.1016/j.ejmech.2025.118338
  4. Capuano A., D’Urso G., Capasso L., Brancaccio E., Gazzillo E., Carbone M., Mollo E., Lauro G., Chini M.G., Bifulco G., Nebbioso A., Casapullo A., “Discovery of RUVBL1 as a target of the marine alkaloid caulerpin via MS-based functional proteomics”, Mar. Drugs, 2026, 24, 37. https://doi.org/10.3390/md24010037
  5. Fantasma F., D’Urso G., Capuano A., Colarusso E., Aliberti M., Grassi F., Brunese M.C., Saviano G., De Felice V., Lauro G., Reginelli A., Chini M.G., Casapullo A., Bifulco G., Iorizzi M., “Potential nutraceutical properties of Vicia faba L: LC-ESI-HR-MS/MS-based profiling of ancient faba bean varieties and their biological activity”, Molecules, 2026, 31, 184. https://doi.org/10.3390/molecules31010184
  6. Colarusso E., Giordano A., Chini M.G., Bifulco G., Lauro G., “Marine Natural Products in Preclinical Cancer Studies: Ten Years of Advanced Total Synthesis”, Mar. Drugs, 2025, 23, 430. https://doi.org/10.3390/md23110430
  7. Ruggiero D., Boccia E., Ingenito E., Vestuto V., D’Urso G., Capuano A., Casapullo A., Terracciano S., Bifulco G., Lauro G., Bruno I., “Identification of a New Interesting BAG3 Modulator Able to Disrupt Cancer-Related Pathways”, ChemMedChem, 2025, 20, e202500310. https://doi.org/10.1002/cmdc.202500310
  8. Boccia E., Terracciano S., Chini M.G., Bifulco G., Lauro G., “The future of BRD9 inhibitors: a patent perspective (2019-present)”, Expert Opin. Ther. Pat, 2025, 36, 145-157. https://doi.org/10.1080/13543776.2025.2606811
  9. Pierri M., Ciani G., Brunese M.C., Lauro G., Terracciano S., Iorizzi M., Nardone V. Chini M.G., Bifulco G., Cappabianca S., Reginelli A., “Advancing Non-Small-Cell Lung Cancer Management Through Multi-Omics Integration: Insights from Genomics, Metabolomics, and Radiomics”, Diagnostics, 2025, 15, 2586. https://doi.org/10.3390/diagnostics15202586
  10. Gazzillo E., Capasso L., Scala F., Aliberti M., Capuano A., D’Urso G., Bruno I., Mele D., Reginelli A., Lauro G., Casapullo A., Terracciano S., Altucci L., Chini, M.G., Nebbioso A., Bifulco G., “Disruption of c-Myc/Max heterodimerization induced by a novel anticancer agent endowed with 1,3-diphenylurea moiety: an in silico, chemoproteomics-based, and in vitro combined approach”, Int. J. Biol. Macromol., 2025, 321, 146187. https://doi.org/10.1016/j.ijbiomac.2025.146187
  11. Gazzillo E., Saviano A., Raucci F., Casillo G.M., Russo M., Donniacuo M., Patanè V., Iacobellis F., Lauro G., Terracciano S., Brunese M.C., Bruno I., Chini M.G., Rinaldi B., Reginelli A., Cappabianca S., Maione F., Bifulco G., “Carnosol modulates mPGES-1/PPAR-γ biological axis: from in silico to in vivo clinical imaging and investigations”, Biomed. Pharmacother., 2025, 191, 118407. https://doi.org/10.1016/j.biopha.2025.118407
  12. Ciaglia T., Napolitano V., Miranda M.R., La Gioia D., Musella S., Schiano Moriello A., Merciai F., Di Sarno V., De Vita S., Colarusso E., Smaldone G., Di Matteo F., Sommella E.M., Kumar P., Allarà M., Ligresti A., Gomez-Monterrey I.M., Bifulco G., Lauro G., Campiglia P., Ostacolo C., Vestuto V., Bertamino A., “Untargeted Diversity-Oriented Synthesis for the Discovery of New Antitumor Agents: An Integrated Approach of Inverse Virtual Screening, Bioinformatics, and Omics for Target Deconvolution.”, J. Med. Chem., 2025, 68, 16483-16517. https://doi.org/10.1021/acs.jmedchem.5c01344
  13. D’Urso G., Capuano A., Fantasma F., Chini M.G., De Felice V., Saviano G., Lauro G., Casapullo A., Bifulco G., Iorizzi M., “The Role of LC-MS in Profiling Bioactive Compounds from Plant Waste for Cosmetic Applications: A General Overview”, Plants, 2025, 14, 2284. https://doi.org/10.3390/plants14152284
  14. Smaldone G., Miranda M.R., Di Matteo F., Napolitano V., Aliberti M., Musella S., Di Sarno V., Lauro G., Bifulco G., Pepe G., Aquino G., Tecce M.F., Gomez-Monterrey I.M., Campiglia P., Ostacolo C., Bertamino A., Vestuto V., Ciaglia, T., “Novel Para-Phenylenediamine-Based Derivatives as Receptor Tyrosine Kinase-like Orphan Receptor 1 (ROR1) Inhibitors: An In Vitro Preliminary Characterization”, ChemMedChem, 2025, 20, e202500247. https://doi.org/10.1002/cmdc.202500247
  15. Sirignano C., De Vita S., Gargiulo E., Lucidi M., Visaggio D., Chini M.G., Lauro G., Chianese G., Visca P., Bifulco G., Taglialatela-Scafati O., “Exploring the Potential of Phytocannabinoids Against Multidrug-Resistant Bacteria”, Plants, 2025, 14, 1901. https://doi.org/10.3390/plants14131901
  16. Pierri M., Bove G., Gazzillo E., Colarusso E., Scala F., Pepe G., Terracciano S., Chini M.G., Simonelli N., Bruno I., Nebbioso A., Campiglia P., Bifulco G., Altucci L., Del Gaudio N., Lauro G., “Unveiling New Triazoloquinoxaline-Based PROTACs Designed for the Selective Degradation of the ncBAF Chromatin Remodeling Subunit BRD9”, Chem. Eur. J., 2025, 31, e202404218. https://doi.org/10.1002/chem.202404218
  17. Nalli Y., Komal, Boccia E., Lauro G., Bifulco G., Krishna G.R., “Phytochemical investigation of Cannabis sativa: Isolation and structure determination of spiroindans”, J. Mol. Struct., 2025, 1332, 141653. https://doi.org/10.1016/j.molstruc.2025.141653
  18. Touahria T., Zahnit W., D’Urso G., Khattabi L., Lauro G., Chini M.G., Bifulco G., Casapullo A., Al-Anazi K.M., Farah M.A., Ali A., “Unveiling the Potential Biological and Chemical Mechanism of Pergularia tomentosa Extracts by Liquid Chromatography-Electrospray Ionisation-High-Resolution Tandem Mass Spectrometry, In-Vitro and In-Vivo Pharmacological Studies”, Chem. Biodiver., 2025, 22, e202403006. https://doi.org/10.1002/cbdv.202403006
  19. Maioli C., Lauro G., Sategna A., Caprioglio D., Amin H.I.M., D’Auria M., Imperio D., Bifulco G., Minassi A., “Optimization of Steroid Photochemistry and Its Application in the Synthesis of 5,6-Dihydro-Ophiopogonol A.”, Chem. Eur. J., 2025, 31, e202500395. https://doi.org/10.1002/chem.202500395
  20. Lauro G., Aliberti M., De Nisco M., Pedatella S., Pepe G., Basilicata M.G., Chini M.G., Fischer K., Hoffstetter R.K., Werz O., Ferraro M.G., Piccolo M., Irace C., Saviano A., Campiglia P., Bertamino A., Ostacolo C., Ciaglia T., Manfra M., Bifulco G., “Furazanopyrazine-based novel promising anticancer agents interfering with the eicosanoid biosynthesis pathways by dual mPGES-1 and sEH inhibition”, Eur. J. Med. Chem., 2025, 289, 117402. https://doi.org/10.1016/j.ejmech.2025.117402
  21. Di Micco S., Scala M.C., Sala M., Barra G., Ghilardi O., Campiglia P., Bifulco G., Vitagliano L., Ruggiero A., “Computational, crystallographic, and biophysical characterizations provide insights into calcium and phosphate binding by human annexin A4”, Int. J. Biol. Macromol., 2025, 308, 142600. https://doi.org/10.1016/j.ijbiomac.2025.142600
  22. Fantasma F., D’Urso G., Martella N., Capuano A., Boccia E., Samukha V., De Felice V., Saviano G., Trombetta F., Lauro G., Segatto M., Chini M.G., Bifulco G., Casapullo A., Iorizzi M., “Chemical Profiling of Polyphenolic Fraction of Cannabis sativa L. vr. Kompolti Industrial Inflorescences: Insights into Cannabidiol Neuroprotective Effects in a Cellular Model of Parkinson’s Disease”, Plants, 2025, 14, 1473. https://doi.org/10.3390/plants14101473
  23. Ruggiero D., Ingenito E., Boccia E., Vestuto V., D’Urso G., Capuano A., Casapullo A., Terracciano S., Bifulco G., Lauro G., Bruno I., “Identification of the first-in-class dual inhibitor targeting BAG3 and HSP70 proteins to disrupt multiple chaperone pathways”, Eur. J. Med. Chem., 2025, 287, 117358. https://doi.org/10.1016/j.ejmech.2025.117358
  24. Nardone V., Ruggiero D., Chini M.G., Bruno I., Lauro G., Terracciano S., Nebbioso A., Bifulco G., Cappabianca S., Reginelli A., “From Bench to Bedside: Translational Approaches to Cardiotoxicity in Breast Cancer, Lung Cancer, and Lymphoma Therapies”, Cancers, 2025, 17, 1059. https://doi.org/10.3390/cancers17071059
  25. Cho H.M., Boccia E., Rajwani R., O’Connor R.D., Boshoff H., Barry C. III, Bifulco G., Bewley C.A., “A Systematic Approach to Discover New Natural Product Scaffolds Using Database-Derived Relative Mass Spectral Defects and Molecular Networking”, JACS Au, 2025, 5, 653-665. https://doi.org/10.1021/jacsau.4c00889
  26. Di Micco S., Ruggiero D., Terracciano S., Bruno I., Cardullo N., Muccilli V., Tringali C., Bifulco G., “Identification of Honokiol-Based Scaffold to Design Tankyrase 1/2 Inhibitors by In Silico and In Vitro Studies”, Chem. Biodiver., 2025, 22, e202401854. https://doi.org/10.1002/cbdv.202401854
  27. Di Stasi M., Parisi V., Hernandez V., Gazzillo E., Chini M.G., Bifulco G., Braca A., Donadio G., De Tommasi N., “New Constituents from Zanthoxylum rhoifolium”, Planta Med., 2025, 91, 119-126. https://doi.org/10.1055/a-2486-9139
  28. Çevik D., Masullo M., Lauro G., Napolitano A., Martucciello S., Paolella G., Polcaro L.M., Bifulco G., Kırmızıbekmez H., Piacente S., “Dihydroaurones and Isoflavan Derivatives from the Roots of Glycyrrhiza asymmetrica”, J. Nat. Prod., 2025, 88, 294-305. https://doi.org/10.1021/acs.jnatprod.4c00878
  29. Ruggiero D., Boccia E., Ingenito E., Vestuto V., D’Urso G., Capuano A., Casapullo A., Terracciano S., Bifulco G., Lauro G., Bruno I., ChemMedChem 2025, 0, e202500310. https://doi.org/10.1002/cmdc.202500310
  30. Colarusso E., Lauro G., Potenza M., Galatello P., d’Aulisio Garigliota M.L., Ferraro M.G., Piccolo M., Chini M.G., Irace C., Campiglia P., Hoffstetter R.K., Werz O., Ramunno A., Bifulco G., “5-methyl-2-carboxamidepyrrole-based novel dual mPGES-1/sEH inhibitors as promising anticancer candidates”, Arch. Pharm., 2025, 358, e2400708. https://doi.org/10.1002/ardp.202400708
  31. Colarusso E., Gazzillo E., Pierri M., Ruggiero D., Chini M.G., Bruno I., Bifulco G., Terracciano S., Lauro G., “In Silico Design, Chemical Synthesis, Biophysical and in Vitro Evaluation for the Identification of 1-Ethyl-1H-Pyrazolo[3,4-b]Pyridine-Based BRD9 Binders”, ChemPlusChem, 2024, 89, e202400339. https://doi.org/10.1002/cplu.202400339
  32. Ciaglia T., Miranda M.R., Di Micco S., Vietri M., Smaldone G., Musella S., Di Sarno V., Auriemma G., Sardo C., Moltedo O., Pepe G., Bifulco G., Ostacolo C., Campiglia P., Manfra M., Vestuto V., Bertamino A., “Neuroprotective Potential of Indole-Based Compounds: A Biochemical Study on Antioxidant Properties and Amyloid Disaggregation in Neuroblastoma Cells”, Antioxidants,2024, 13, 1585; https://doi.org/10.3390/antiox13121585
  33. Ruggiero D., Ingenito E., Boccia E., Vestuto V., Miranda M.R., Terracciano S., Lauro G., Bifulco G., Bruno I., “Identification of a new promising BAG3 modulator featuring the imidazopyridine scaffold”, Molecules, 2024, 29, 5051. https://doi.org/10.3390/molecules29215051
  34. Samukha V., Fantasma F., D’Urso G., Colarusso E., Schettino A., Marigliano N., Chini M.G., Saviano G., De Felice V., Lauro G., Maione F., Bifulco G., Casapullo A., Iorizzi M., “Chemical profiling of polar lipids and the polyphenolic fraction of commercial Italian Phaseolus seeds by UHPLC-HRMS and biological evaluation”, Biomolecules, 2024, 14, 1336. https://doi.org/10.3390/biom14101336
  35. Colarusso E., Gazzillo E., Boccia E., Terracciano S., Bruno I., Bifulco G., Chini M.G., Lauro G., “Identification of novel bromodomain-containing protein 4 (BRD4) binders through 3D pharmacophore-based repositioning screening campaign”, Molecules, 2024, 29, 4025. https://doi.org/10.3390/molecules29174025
  36. Milite C., Sarno G., Pacilio I., Cianciulli A., Viviano M., Iannelli G., Gazzillo E., Feoli A., Cipriano A., Chini M.G., Castellano S., Bifulco G., Sbardella G., “Prodrug approach to exploit (S)-alanine amide as arginine mimic moiety in the development of protein arginine methyltransferase 4 inhibitors”, ChemMedChem, 2024, 19, e202400139. https://doi.org/10.1002/cmdc.202400139
  37. Gazzillo E., Colarusso E., Giordano A., Chini M.G., Potenza M., Hofstetter R.K., Iorizzi M., Werz O., Lauro G., Bifulco G., “Repositioning of small molecules through the Inverse Virtual Screening in silico tool: Case of benzothiazole-based inhibitors of soluble epoxide hydrolase (sEH)”, ChemPlusChem, 2024, 89, e202400234. https://doi.org/10.1002/cplu.202400234
  38. Vestuto V., Ciaglia T., Musella S., Di Sarno V., Smaldone G., Di Matteo F., Scala M.C., Napolitano V., Miranda M.R., Amodio G., Novi S., Pepe G., Basilicata M.G., Gazzillo E., Pace S., Gomez-Monterrey I.M., Sala M., Bifulco G., Tecce M.F., Campiglia P., Ostacolo C., Lauro G., Manfra M., Bertamino A., “A comprehensive in vitro characterization of a new class of indole-based compounds developed as selective haspin inhibitors”, J. Med. Chem., 2024, 67, 12711–12734. https://doi.org/10.1021/acs.jmedchem.4c00718
  39. Cerulli A., De Vita S., Masullo M., Bove C., Bermejo Bescós P., Bifulco G., Piacente S., “Corylus avellana cultivar “Tonda di Giffoni”, source of antioxidant diarylheptanoids: Biological evaluation and molecular docking analysis”, J. Funct. Foods, 2024, 119, 106309. https://doi.org/10.1016/j.jff.2024.106309
  40. Fantasma F., Samukha V., Aliberti M., Colarusso E., Chini M.G., Saviano G., De Felice V., Lauro G., Casapullo A., Bifulco G., Iorizzi M. “Essential oils of Laurus nobilis L.: From chemical analysis to in silico investigation of anti-inflammatory activity by soluble epoxide hydrolase (sEH) inhibition”, Foods, 2024, 13, 2282. https://doi.org/10.3390/foods13142282
  41. Capuano A., D’Urso G., Gazzillo E., Lauro G., Chini M.G., D’Auria M.V., Ferraro M.G., Iazzetti F., Irace C., Bifulco G., Casapullo A., “Fatty acid synthase as interacting anticancer target of the terpenoid myrianthic acid disclosed by MS-based proteomics approaches.”, Int. J. Mol. Sci., 2024, 25,5918. https://doi.org/10.3390/ijms25115918
  42. De Vita S., Colarusso E., Chini M.G., Bifulco G., Lauro G., “PharmaCore: The automatic generation of 3D structure-based pharmacophore models from protein/ligand complexes”, J. Chem. Inf. Model., 2024, 64, 4263 – 4276. https://doi.org/10.1021/acs.jcim.3c01920
  43. Di Micco S., Ciaglia T., Salviati E., Perrone M., Kostrzewa M., Musella S., Schiano Moriello A., Di Sarno V., Smaldone G., Di Matteo F., Capolupo I., Infantino R., Bifulco G., Pepe G., Sommella E.M., Kumar P., Basilicata M.G., Allarà M., Sánchez-Fernández N., Aso E., Gomez-Monterrey I.M., Campiglia P., Ostacolo C., Maione S., Ligresti A., Bertamino A., “Novel pyrrole based CB2 agonists: New insights on CB2 receptor role in regulating neurotransmitters’ tone”, Eur. J. Med. Chem., 2024, 269, 116298. https://doi.org/10.1016/j.ejmech.2024.116298
  44. Di Micco S., Ruggiero D., Terracciano S., Bruno I., Cardullo N., Muccilli V., Tringali C., Bifulco G., “Identification of honokiol-based scaffold to design tankyrase 1/2 inhibitors by in silico and in vitro studies”, Chem. Biodiversity, 2024, e202401854. https://doi.org/10.1002/cbdv.202401854
  45. Colarusso E., Chini M.G., Bifulco G., Lauro G., Giordano A., “Identification and Development of BRD9 Chemical Probes”, Pharmaceuticals, 2024, 17, 392. https://doi.org/10.3390/ph17030392
  46. Ciaglia T., Vestuto V., Di Sarno V., Musella S., Smaldone G., Di Matteo F., Napolitano V., Miranda M.R., Pepe G., Basilicata M.G., Novi S., Capolupo I., Bifulco G., Campiglia P., Gomez-Monterrey I.M., Snoeck R., Andrei G., Manfra M., Ostacolo C., Lauro G., Bertamino A., “Peptidomimetics as potent dual SARS-CoV-2 cathepsin-L and main protease inhibitors: In silico design, synthesis and pharmacological characterization”, Eur. J. Med. Chem., 2024, 266, 116128. https://doi.org/10.1016/j.ejmech.2024.116128
  47. Capuano A., D’Urso G., Aliberti M., Ruggiero D., Terracciano S., Festa C., Tosco A., Chini M.G., Lauro G., Bifulco G., Casapullo A., “Chemoproteomics reveals USP5 (Ubiquitin Carboxyl-Terminal Hydrolase 5) as promising target of the marine polyketide gracilioether A”, Mar. Drugs, 2024, 22, 41. https://doi.org/10.3390/md22010041
  48. Samukha V., Fantasma F., D’urso G., Caprari C., De Felice V., Saviano G., Lauro G., Casapullo A., Chini M.G., Bifulco G., Iorizzi M., “NMR metabolomics and chemometrics of commercial varieties of Phaseolus vulgaris L. seeds from Italy and in vitro antioxidant and antifungal activity”, Plants, 2024, 13, 227. https://doi.org/10.3390/plants13020227
  49. De Vita S., Masullo M., Grambone S., Bermejo Bescós P., Piacente S., Bifulco G., “Demethylcalabaxanthone from Garcinia mangostana exerts antioxidant effects through the activation of the Nrf2 pathway as assessed via molecular docking and biological evaluation “, Antioxidants, 2023,12, 1980. https://doi.org/10.3390/antiox12111980 
  50. Colarusso E., Gazzillo E., Pierri M., Ruggiero D., Chini M.G., Bruno I., Bifulco G., Terracciano S., Lauro G., “In silico design, chemical synthesis, biophysical and in vitro evaluation for the identification of 1-ethyl-1H-pyrazolo[3,4-b]pyridine-based BRD9 binders”, ChemPlusChem, 2024, e202400339. https://doi.org/10.1002/cplu.202400339
  51. De Vita S., Meninno S., Capasso L., Colarusso E., Chini M.G., Lauro G., Rinaldi R., De Cicco A., Sian V., Terracciano S., Nebbioso A., Lattanzi A., Bifulco G, “2-Substituted 1,5-benzothiazepine-based HDAC inhibitors exert anticancer activities on human solid and acute myeloid leukemia cell lines”, Bioorg. Med. Chem., 2023, 93, 117444. https://doi.org/10.1016/j.bmc.2023.117444
  52. Gazzillo E., Pierri M., Colarusso E., Chini M.G., Ferraro M.G., Piccolo M., Irace C., Bruno I., Bifulco G., Terracciano S., Lauro G., “Exploring the chemical space of functionalized [1,2,4]triazolo[4,3-a]quinoxaline-based compounds targeting the bromodomain of BRD9”, Bioorg. Chem., 2023, 139, 106677. https://doi.org/10.1016/j.bioorg.2023.106677
  53. Musella S., D’Avino D., Peltner L.K., Di Sarno V., Cerqua I., Merciai F., Vestuto V., Ciaglia T., Smaldone G., Di Matteo F., Di Micco S., Napolitano V., Bifulco G., Pepe G., Sommella E.M., Basilicata M.G., Aquino G., Gomez-Monterrey I.M., Campiglia P., Ostacolo C., Roviezzo F., Werz O., Rossi A., Bertamino A., “Design, Synthesis, and Pharmacological Characterization of a Potent Soluble Epoxide Hydrolase Inhibitor for the Treatment of Acute Pancreatitis”, J. Med. Chem., 2023, 66, 13, 9201–9222. https://doi.org/10.1021/acs.jmedchem.3c00831
  54. Parisi V., Donadio G., Bellone  M.L., Belaabed S., Bader A., Bisio A., Iobbi V., Gazzillo E., Chini M.G., Bifulco G. Faraone I., Vassallo A., “Exploring the Anticancer Potential of Premna resinosa (Hochst.) Leaf Surface Extract: Discovering New Diterpenes as Heat Shock Protein 70 (Hsp70) Binding Agents”, Plants, 2023, 12, 2421. https://doi.org/10.3390/plants12132421
  55. Rogati F., Maioli C., Lauro G., Caprioglio D., Imperio D., Del Grosso E., Botta B., Mannina L., Bifulco G., Ingallina C., Minassi A., “A Classic Photochemical Approach Inducing an Unexpected Rearrangement: Exploring the Photoreactivity of Pentacyclic Triterpenic Acids”, J. Nat. Prod., 2023, 86, 4, 1025–1032. https://doi.org/10.1021/acs.jnatprod.3c00067
  56. De Vita S., Chini M.G., Bifulco G., Lauro G., “Target identification by structure-based computational approaches: Recent advances and perspectives”, Bioorg. Med. chem. Lett., 2023, 83, 129171. https://doi.org/10.1016/j.bmcl.2023.129171
  57. Bewley C.A., Sulikowski G.A., Yang Z.J., Bifulco G., Cho H.-M., Fullenkamp C.R., “Properties of Configurationally Stable Atropoenantiomers in Macrocyclic Natural Products and the Chrysophaentin Family“, Acc. Chem. Res. 2023, 56, 4, 414–424. https://doi.org/10.1021/acs.accounts.2c00648
  58. Colarusso E., Ceccacci S., Monti M.C., Gazzillo E., Giordano A., Chini M.G., Ferraro M.G., Piccolo M., Ruggiero D., Irace C., Terracciano S., Bruno I., Bifulco G., Lauro G., “Identification of 2,4,5-trisubstituted-2,4-dihydro-3H-1,2,4-triazol-3-one-based small molecules as selective BRD9 binders”, Eur. J. Med. Chem., 2023, 247, 115018. https://doi.org/10.1016/j.ejmech.2022.115018
  59. Potenza M., Giordano A., Chini M.G., Saviano A., Kretzer C., Raucci F, Russo M., Lauro G., Terracciano S., Bruno I., Iorizzi M., Hofstetter R.K., Pace S., Maione F., Werz O., Bifulco G., “Identification of 2-Aminoacyl-1,3,4-thiadiazoles as Prostaglandin E2 and Leukotriene Biosynthesis Inhibitors”, ACS Med. Chem. Lett.,2023, 14, 1, 26–34. https://doi.org/10.1021/acsmedchemlett.2c00343
  60. Di Micco S., Di Sarno V., Rossi M., Vestuto V., Konno T., Novi S., Tecce M.F., Napolitano V., Ciaglia T., Vitale A., Gomez-Monterrey I.M., Bifulco G., Beratmino A., Ostacolo C., Blasi P., Fasano A., Campiglia P., Musella S., “In Silico Identification and In Vitro Evaluation of New ABCG2 Transporter Inhibitors as Potential Anticancer Agents”, Int. J. Mol. Sci., 2023, 24, 725. https://doi.org/10.3390/ijms24010725
  61. Kılınc H., Masullo M., Lauro G., D’Urso G., Alankus O., Bifulco G., Piacente S., “Scabiosa atropurpurea: A rich source of iridoids with α-glucosidase inhibitory activity evaluated by in vitro and in silico studies”, Phytochemistry, 2023, 25, 113471. https://doi.org/10.1016/j.phytochem.2022.113471
  62. Potenza, M., Giordano, A., Chini, M.G., Saviano, A., Kretzer, C., Raucci, F., Russo, M., Lauro, G., Terracciano, S., Bruno, I., Iorizzi, M., Hofstetter, R.K., Pace, S., Maione, F., Werz, O., Bifulco, G., “Identification of 2-aminoacyl-1,3,4-thiadiazoles as prostaglandin E2 and leukotriene biosynthesis inhibitors”, ACS Med. Chem. Lett., 2023, 14, 26-34. https://doi.org/10.1021/acsmedchemlett.2c00343
  63. Di Micco, S., Di Sarno, V., Rossi, M., Vestuto, V., Konno, T., Novi, S., Tecce, M.F., Napolitano, V., Ciaglia, T., Vitale, A., Gomez-Monterrey, I.M., Bifulco, G., Bertamino, A., Ostacolo, C., Blasi, P., Fasano, A., Campiglia, P., Musella, S., “In silico identification and in vitro evaluation of new ABCG2 transporter inhibitors as potential anticancer agents”, Int. J. Mol. Sci., 2023, 24, 725. https://doi.org/10.3390/ijms24010725
  64. Di Micco, S., Rahimova, R., Sala, M., Scala, M.C., Vivenzio, G., Musella, S., Andrei, G., Remans, K., Mammri, L., Snoeck, R., Bifulco, G., Di Matteo, F., Vestuto, V., Campiglia, P., Márquez, J.A., Fasano, A., “Rational design of the zonulin inhibitor AT1001 derivatives as potential anti SARS-CoV-2”, Eur. J. Med. Chem., 2022, 244, 114857. https://doi.org/10.1016/j.ejmech.2022.114857
  65. Di Micco, S., Lauro, G., Bifulco, G., “Extensive molecular dynamics simulations disclosed the stability of mPGES-1 enzyme and the structural role of glutathione (GSH) cofactor”, Mol. Inform., 2022, 41, 2200140. https://doi.org/10.1002/minf.202200140
  66. Di Micco, S., Terracciano, S., Pierri, M., Cantone, V., Liening, S., König, S., Garscha, U., Hofstetter, R.K., Koeberle, A., Werz, O., Bruno, I., Bifulco, G., “Identification of 2,4-dinitro-biphenyl-based compounds as MAPEG inhibitors”, ChemMedChem, 2022, 17, e202200327. https://doi.org/10.1002/cmdc.202200327
  67. Cerqua, I., Musella, S., Peltner, L.K., D’Avino, D., Di Sarno, V., Granato, E., Vestuto, V., Di Matteo, R., Pace, S., Ciaglia, T., Bilancia, R., Smaldone, G., Di Matteo, F., Di Micco, S., Bifulco, G., Pepe, G., Basilicata, M.G., Rodriquez, M., Gomez-Monterrey, I.M., Campiglia, P., Ostacolo, C., Roviezzo, F., Werz, O., Rossi, A., Bertamino, A., “Discovery and optimization of indoline-based compounds as dual 5-LOX/sEH inhibitors: In vitro and in vivo anti-inflammatory characterization”, J.Med.Chem., 2022, 65, 14456-14480. https://doi.org/10.1021/acs.jmedchem.2c00817
  68. Colarusso, E., Gazzillo, E., Boccia, E., Giordano, A., Chini, M.G., Bifulco, G., Lauro, G., “6-Methylquinazolin-4(3H)-one based compounds as BRD9 epigenetic reader binders: A rational combination of in silico studies and chemical synthesis.”, Eur. J. Org. Chem., 2022, 2022, e202200868. https://doi.org/10.1002/ejoc.202200868
  69. Di Sarno, V., Giovannelli, P., Medina-Peris, A., Ciaglia, T., Di Donato, M., Musella, S., Lauro, G., Vestuto, V., Smaldone, G., Di Matteo, F., Bifulco, G., Castoria, G., Migliaccio, A., Fernandez-Carvajal, A., Campiglia, P., Gomez-Monterrey, I., Ostacolo, C., Bertamino, A., “New TRPM8 blockers exert anticancer activity over castration-resistant prostate cancer models.”, Eur. J. Med. Chem., 2022, 238, 114435. https://doi.org/10.1016/j.ejmech.2022.114435
  70. Donadio, G., Chini, M.G., Parisi, V., Mensitieri, F., Malafronte, N., Bifulco, G., Bisio, A., De Tommasi, N., Bader, A., “Diterpenoid constituents of Psiadia punctulata and evaluation of their antimicrobial activity.”, J. Nat. Prod., 2022, 85, 1667-1680. https://doi.org/10.1021/acs.jnatprod.1c01093
  71. De Vita, S., Finamore, C., Chini, M.G., Saviano, G., De Felice, V., De Marino, S., Lauro, G., Casapullo, A., Fantasma, F., Trombetta, F., Bifulco, G., Iorizzi, M., “Phytochemical analysis of the methanolic extract and essential oil from leaves of industrial hemp Futura 75 Cultivar: Isolation of a new cannabinoid derivative and biological profile using computational approaches.”, Plants, 2022, 11, 1671. https://doi.org/10.3390/plants11131671
  72. Gazzillo, E., Terracciano, S., Ruggiero, D., Potenza, M., Chini, M.G., Lauro, G., Fischer, K., Hofstetter, R.K., Giordano, A., Werz, O., Bruno, I., Bifulco, G., “Repositioning of quinazolinedione-based compounds on soluble epoxide hydrolase (sEH) through 3D structure-based pharmacophore model-driven Iinvestigation.”, Molecules, 2022, 27, 3866. https://doi.org/10.3390/molecules27123866
  73. Colarusso E., Potenza M., Lauro G., Chini M.G., Sepe V., Zampella A., Fischer K., Hofstetter R.K., Werz O., Bifulco G., “Thiazolidin-4-one-based compounds interfere with the eicosanoid biosynthesis pathways by mPGES-1/sEH/5-LO multi-target inhibition”, Eur. J. Med. Chem. Rep., 2022, 5, 100046. https://doi.org/10.1016/j.ejmcr.2022.100046
  74. Scala, M.C., Di Micco, S., Lanzillotta, D., Musella, S., Di Sarno, V., Parrino, B., Cascioferro, S.M., Bifulco, G., Trapasso, F., Campiglia, P., Sala, M., “Corrigendum: Overcome chemoresistance: biophysical and structural analysis of synthetic FHIT-derived peptides (Front. Mol. Biosci., (2021), 8, (715263), 10.3389/fmolb.2021.715263).”, Front. Mol. Biosci., 2022, 9, 915838. https://doi.org/10.3389/fmolb.2022.915838
  75. Boudermine, S., Parisi, V., Lemoui, R., Boudiar, T., Chini, M.G., Franceschelli, S., Pecoraro, M., Pascale, M., Bifulco, G., Braca, A., De Tommasi, N., De Leo, M., “Cytotoxic sesquiterpenoids from Ammoides atlantica aerial parts.”, J. Nat. Prod., 2022, 85, 647-656. https://doi.org/10.1021/acs.jnatprod.1c01211
  76. Masullo, M., Lauro, G., Cerulli, A., Bifulco, G., Piacente, S., “Corylus avellana: A source of diarylheptanoids with α-glucosidase inhibitory activity evaluated by in vitro and in silico studies.”, Front. Plant Sci., 2022, 13, 805660. https://doi.org/10.3389/fpls.2022.805660
  77. Ruggiero, D., Terracciano, S., Lauro, G., Pecoraro, M., Franceschelli, S., Bifulco, G., Bruno, I., “Structural refinement of 2,4-thiazolidinedione derivatives as new anticancer agents able to modulate the BAG3 protein.”, Molecules, 2022, 27, 665. https://doi.org/10.3390/molecules27030665
  78. Ureña-Vacas, I., González-Burgos, E., De Vita, S., Divakar, P.K., Bifulco, G., Gómez-Serranillos, M.P., “Phytochemical characterization and pharmacological properties of lichen extracts from Cetrarioid clade by multivariate analysis and molecular docking”, Evid. Based Complementary Altern. Med., 2022, 2022, 5218248. https://doi.org/10.1155/2022/5218248
  79. Baradaran Rahimi, V., Momeni-Moghaddam, M.A., Chini, M.G., Saviano, A., Maione, F., Bifulco, G., Rahmanian-Devin, P., Jebalbarezy, A., Askari, V.R., “Carnosol Attenuates LPS-Induced Inflammation of Cardiomyoblasts by Inhibiting NF-B: A Mechanistic in Vitro and in Silico Study.”, Evid. Based Complementary Altern. Med., 2022, 2022, 7969422. https://doi.org/10.1155/2022/7969422
  80. Saviano, A., De Vita, S., Chini, M.G., Marigliano, N., Lauro, G., Casillo, G.M., Raucci, F., Iorizzi, M., Hofstetter, R.K., Fischer, K., Koeberle, A., Werz, O., Maione, F., Bifulco, G., “In silico, in vitro, and in vivo analysis of tanshinone IIA and cryptotanshinone from Salvia miltiorrhiza as modulators of cyclooxygenase-2/mPGES-1/endothelial prostaglandin EP3 pathway.”, Biomolecules, 2022, 12, 99. https://doi.org/10.3390/biom12010099
  81. Pierri, M., Gazzillo, E., Chini, M.G., Ferraro, M.G., Piccolo, M., Maione, F., Irace, C., Bifulco, G., Bruno, I., Terracciano, S., Lauro, G., “Introducing structure-based three-dimensional pharmacophore models for accelerating the discovery of selective BRD9 binders.”, Bioorg. Chem., 2022, 118, 105480. https://doi.org/10.1016/j.bioorg.2021.105480
  82. Di Sarno, V., Lauro, G., Musella, S., Ciaglia, T., Vestuto, V., Sala, M., Scala, M.C., Smaldone, G., Di Matteo, F., Novi, S., Tecce, M.F., Moltedo, O., Bifulco, G., Campiglia, P., Gomez-Monterrey, I.M., Snoeck, R., Andrei, G., Ostacolo, C., Bertamino, A., “Identification of a dual acting SARS-CoV-2 proteases inhibitor through in silico design and step-by-step biological characterization.”, Eur. J. Med. Chem., 2021, 226, 113863. https://doi.org/10.1016/j.ejmech.2021.113863
  83. De Vita, S., Chini, M.G., Bifulco, G., Lauro, G., “Insights into the ligand binding to bromodomain‐containing protein 9 (BRD9): A guide to the selection of potential binders by computational methods.”, Molecules, 2021,26, 7192. https://doi.org/10.3390/molecules26237192
  84. Scala, M.C., Di Micco, S., Lanzillotta, D., Musella, S., Di Sarno, V., Parrino, B., Casciofierro, S.M., Bifulco, G., Trapasso, F., Campiglia, P., Sala, M., “Overcome chemoresistance: Biophysical and structural analysis of synthetic FHIT-derived peptides.”, Front. Mol. Biosci., 2021, 8, 715263. https://doi.org/10.3389/fmolb.2021.715263
  85. De Vita, S., Chini, M.G., Saviano, G., Finamore, C., Festa, C., Lauro, G., De Marino, S., Russo, R., Avagliano, C., Casapullo, A., Calignano, A., Bifulco, G., Iorizzi, M., “Biological profile of two gentiana lutea l. Metabolites using computational approaches and in vitro tests.”, Biomolecules, 2021, 11, 1490. https://doi.org/10.3390/biom11101490
  86. Zadali, R.; Nejad-Ebrahimi, S.; Hadjiakhoondi, A.; Fiengo, L.; D’Ambola, M.; De Vita, S.; Tofighi, Z.; Chini, M. G.; Bifulco, G.; De Tommasi, N., “Diterpenoids from Zhumeria majdae roots as potential heat shock protein 90 (Hsp90) modulators.”, Phytochemistry, 2021, 185, 112685. https://doi.org/10.1016/j.phytochem.2021.112685
  87. Potenza, M.; Sciarretta, M.; Chini, M. G.; Saviano, A.; Maione, F.; D’Auria, M. V.; De Marino, S.; Giordano, A.; Hofstetter, R. K.; Festa, C.; Werz, O.; Bifulco, G., “Structure-based screening for the discovery of 1,2,4-oxadiazoles as promising hits for the development of new anti-inflammatory agents interfering with eicosanoid biosynthesis pathways.”, Eur. J. Med. Chem., 2021, 224, 113693. https://doi.org/10.1016/j.ejmech.2021.113693
  88. Potenza, M.; Cavalluzzi, M. M.; Milani, G.; Lauro, G.; Carino, A.; Roselli, R.; Fiorucci, S.; Zampella, A.; Pierri, C. L.; Lentini, G.; Bifulco, G., “Inverse Virtual Screening for the rapid re-evaluation of the presumed biological safe profile of natural products. The case of steviol from Stevia rebaudiana glycosides on farnesoid X receptor (FXR).”, Bioorg. Chem., 2021, 111, 104897. https://doi.org/10.1016/j.bioorg.2021.104897
  89. Nalli, Y.; Jan, S.; Lauro, G.; Ur Rasool, J.; Lone, W. I.; Sarkar, A. R.; Banday, J.; Bifulco, G.; Laatsch, H.; Syed, S. H.; Ali, A., “Isolation, synthesis And structure determination of cannabidiol derivatives and their cytotoxic activities.”, Nat. Prod. Res., 2021, 35, 471-480. https://doi.org/10.1080/14786419.2019.1638381
  90. Masullo, M.; Lauro, G.; Cerulli, A.; Kontek, B.; Olas, B.; Bifulco, G.; Piacente, S.; Pizza, C., “Giffonins, Antioxidant Diarylheptanoids from Corylus avellana, and Their Ability to Prevent Oxidative Changes in Human Plasma Proteins.”, J. Nat. Prod., 2021, 84, 646-653. https://doi.org/10.1021/acs.jnatprod.0c01251
  91. Fiengo, L.; Lauro, G.; Bellone, M. L.; Bifulco, G.; Dal Piaz, F.; De Tommasi, N., “The plant diterpene epoxysiderol targets Hsp70 in cancer cells, affecting its ATPase activity and reducing its translocation to plasma membrane.”, Int. J. Biol. Macromol., 2021, 189, 262-270. https://doi.org/10.1016/j.ijbiomac.2021.08.138
  92. Di Micco, S.; Terracciano, S.; Ruggiero, D.; Potenza, M.; Vaccaro, M. C.; Fischer, K.; Werz, O.; Bruno, I.; Bifulco, G., “Identification of 2-(thiophen-2-yl)acetic acid-based lead compound for mPGES-1 inhibition.”, Front. Chem., 2021, 9, 285. https://doi.org/10.3389/fchem.2021.676631
  93. Di Micco, S.; Musella, S.; Scala, M. C.; Sala, M.; Campiglia, P.; Bifulco, G.; Fasano, A., “In silico analysis revealed potential anti-SARS-CoV-2 main protease activity by the zonulin inhibitor larazotide acetate.”, Front. Chem., 2021, 8, 628609. https://doi.org/10.3389/fchem.2020.628609
  94. Di Micco, S.; Musella, S.; Sala, M.; Scala, M. C.; Andrei, G.; Snoeck, R.; Bifulco, G.; Campiglia, P.; Fasano, A., “Peptide derivatives of the zonulin inhibitor larazotide (At1001) as potential anti sars cov-2: Molecular modelling, synthesis and bioactivity evaluation.”, Int. J. Mol. Sci., 2021, 22, 9427. https://doi.org/10.3390/ijms22179427
  95. Chini, M. G.; Lauro, G.; Bifulco, G., “Addressing the target identification and accelerating the repositioning of anti-inflammatory/anti-cancer organic compounds by computational approaches.”, Eur. J. Org. Chem., 2021, 2021, 2966-2981. https://doi.org/10.1002/ejoc.202100245
  96. Bellone, M. L.; Munõz Camero, C.; Chini, M. G.; Dal Piaz, F.; Hernandez, V.; Bifulco, G.; De Tommasi, N.; Braca, A., “Limonoids from Guarea guidonia and Cedrela odorata: Heat shock protein 90 (Hsp90) modulator properties of chisomicine D.”, J. Nat. Prod., 2021, 84, 724-737. https://doi.org/10.1021/acs.jnatprod.0c01217
  97. Nemati, F.; Salehi, P.; Bararjanian, M.; Hadian, N.; Mohebbi, M.; Lauro, G.; Ruggiero, D.; Terracciano, S.; Bifulco, G.; Bruno, I., “Discovery of noscapine derivatives as potential β-tubulin inhibitors.”, Bioorg. Med. Chem. Lett., 2020, 30, 127489. https://doi.org/10.1016/j.bmcl.2020.127489
  98. Lauro, G.; Terracciano, S.; Cantone, V.; Ruggiero, D.; Fischer, K.; Pace, S.; Werz, O.; Bruno, I.; Bifulco, G., “A combinatorial virtual screening approach driving the synthesis of 2,4-thiazolidinedione-based molecules as new sual mPGES-1/5-LO inhibitors.”, ChemMedChem, 2020, 15, 481-489. https://doi.org/10.1002/cmdc.201900694
  99. Lauro, G.; Das, P.; Riccio, R.; Reddy, D. S.; Bifulco, G., “DFT/NMR approach for the configuration assignment of groups of stereoisomers by the combination and comparison of experimental and predicted sets of data.”, J. Org. Chem., 2020, 85, 3297-3306. https://doi.org/10.1021/acs.joc.9b03129
  100. Lauro, G.; Bifulco, G., “Elucidating the relative and absolute configuration of organic compounds by quantum mechanical approaches.”, Eur. J. Org. Chem., 2020, 2020, 3929-3941. https://doi.org/10.1002/ejoc.201901878
  101. Farooq, S.; Qayum, A.; Nalli, Y.; Lauro, G.; Chini, M. G.; Bifulco, G.; Chaubey, A.; Singh, S. K.; Riyaz-Ul-Hassan, S.; Ali, A., “Discovery of a secalonic acid derivative from Aspergillus aculeatus, an endophyte of Rosa damascena Mill., triggers apoptosis in MDA-MB-231 triple negative breast cancer cells.”, ACS Omega, 2020, 5, 24296-24310. https://doi.org/10.1021/acsomega.0c02505
  102. De Vita, S.; Terracciano, S.; Bruno, I.; Chini, M. G., “From natural compounds to bioactive molecules through NMR and in silico methodologies.”, Eur. J. Org. Chem., 2020, 2020, 6297-6317. https://doi.org/10.1002/ejoc.202000469
  103. De Vita, S.; Chini, M. G.; Lauro, G.; Bifulco, G., “Accelerating the repurposing of FDA-approved drugs against coronavirus disease-19 (COVID-19).”, RSC Adv., 2020, 10, 40867-40875. https://doi.org/10.1039/d0ra09010g
  104. De Caro, C.; Raucci, F.; Saviano, A.; Cristiano, C.; Casillo, G. M.; Di Lorenzo, R.; Sacchi, A.; Laneri, S.; Dini, I.; De Vita, S.; Chini, M. G.; Bifulco, G.; Calignano, A.; Maione, F.; Mascolo, N., “Pharmacological and molecular docking assessment of cryptotanshinone as natural-derived analgesic compound.” Biomed. Pharmacother., 2020, 126, 110042. https://doi.org/10.1016/j.biopha.2020.110042
  105. Chini, M. G.; Urbani, D.; Dambruoso, P.; Riccio, R.; Bifulco, G., “Elucidating heteroatom influence on homonuclear 4J(H,H) coupling constants by DFT/NMR approach.” Magn. Reson. Chem., 2020, 58, 566-575. https://doi.org/10.1002/mrc.4983
  106. Chini, M. G.; Giordano, A.; Potenza, M.; Terracciano, S.; Fischer, K.; Vaccaro, M. C.; Colarusso, E.; Bruno, I.; Riccio, R.; Koeberle, A.; Werz, O.; Bifulco, G., “Targeting mPGES-1 by a combinatorial approach: identification of the aminobenzothiazole scaffold to suppress PGE2 levels.”, ACS Med. Chem. Lett., 2020, 11, 783-789. https://doi.org/10.1021/acsmedchemlett.9b00618
  107. Bertamino, A.; Ostacolo, C.; Medina, A.; Di Sarno, V.; Lauro, G.; Ciaglia, T.; Vestuto, V.; Pepe, G.; Basilicata, M. G.; Musella, S.; Smaldone, G.; Cristiano, C.; Gonzalez-Rodriguez, S.; Fernandez-Carvajal, A.; Bifulco, G.; Campiglia, P.; Gomez-Monterrey, I.; Russo, R., “Exploration of TRPM8 binding sites by β-carboline-based antagonists and their in vitro characterization and in vivo analgesic activities.”, J. Med. Chem., 2020, 63, 9672-9694. https://doi.org/10.1021/acs.jmedchem.0c00816
  108. Sun, P.; Cai, F. Y.; Lauro, G.; Tang, H.; Su, L.; Wang, H. L.; Li, H. H.; Mándi, A.; Kurtán, T.; Riccio, R.; Bifulco, G.; Zhang, W., “Immunomodulatory biscembranoids and assignment of their relative and absolute configurations: Data set modulation in the density functional theory/nuclear magnetic resonance approach.”, J. Nat. Prod., 2019, 82, 1264-1273. https://doi.org/10.1021/acs.jnatprod.8b01037
  109. Ostacolo, C.; Di Sarno, V.; Lauro, G.; Pepe, G.; Musella, S.; Ciaglia, T.; Vestuto, V.; Autore, G.; Bifulco, G.; Marzocco, S.; Campiglia, P.; Gomez-Monterrey, I. M.; Bertamino, A., “Identification of an indol-based multi-target kinase inhibitor through phenotype screening and target fishing using inverse virtual screening approach.”, Eur. J. Med. Chem., 2019, 167, 61-75. https://doi.org/10.1016/j.ejmech.2019.01.066
  110. Maione, F.; Minosi, P.; Giannuario, A. D.; Raucci, F.; Chini, M. G.; De Vita, S.; Bifulco, G.; Mascolo, N.; Pieretti, S., “Long-lasting anti-inflammatory and antinociceptive effects of acute ammonium glycyrrhizinate administration: Pharmacological, biochemical, and docking studies.”, Molecules, 2019, 24, 2453. https://doi.org/10.3390/molecules24132453
  111. Gerstmeier, J.; Kretzer, C.; Di Micco, S.; Miek, L.; Butschek, H.; Cantone, V.; Bilancia, R.; Rizza, R.; Troisi, F.; Cardullo, N.; Tringali, C.; Ialenti, A.; Rossi, A.; Bifulco, G.; Werz, O.; Pace, S., “Novel benzoxanthene lignans that favorably modulate lipid mediator biosynthesis: A promising pharmacological strategy for anti-inflammatory therapy.”, Biochem. Pharmacol., 2019, 165, 263-274. https://doi.org/10.1016/j.bcp.2019.03.003
  112. Di Micco, S.; Masullo, M.; Bandak, A. F.; Berger, J. M.; Riccio, R.; Piacente, S.; Bifulco, G., “Garcinol and related polyisoprenylated benzophenones as topoisomerase II inhibitors: Biochemical and molecular modeling studies.”, J. Nat. Prod., 2019, 82, 2768-2779. https://doi.org/10.1021/acs.jnatprod.9b00382
  113. Di Micco, S.; Giannini, C.; Previtali, A.; Lucenti, E.; Bifulco, G., “Chemical shift assignment of mono- and di-bromo triimidazo[1,2-a:1′,2′-c:1″,2″-e][1,3,5]triazine derivatives by DFT/NMR integrated approach.”, Magn. Reson. Chem., 2019, 57, 82-92. https://doi.org/10.1002/mrc.4804
  114. De Vita, S.; Lauro, G.; Ruggiero, D.; Terracciano, S.; Riccio, R.; Bifulco, G., “Protein preparation sutomatic protocol for high-throughput Inverse Virtual Screening: Accelerating the target identification by computational methods.”, J. Chem. Inf. Model., 2019, 59, 4678-4690. https://doi.org/10.1021/acs.jcim.9b00428
  115. D’Ambola, M.; Fiengo, L.; Chini, M. G.; Cotugno, R.; Bader, A.; Bifulco, G.; Braca, A.; De Tommasi, N.; Dal Piaz, F., “Fusicoccane Diterpenes from Hypoestes forsskaolii as Heat Shock Protein 90 (Hsp90) Modulators.”, J. Nat. Prod., 2019, 82, 539-549. https://doi.org/10.1021/acs.jnatprod.8b00924
  116. Buevich, A. V.; Saurí, J.; Parella, T.; De Tommasi, N.; Bifulco, G.; Williamson, R. T.; Martin, G. E., “Enhancing the utility of 1JCH coupling constants in structural studies through optimized DFT analysis.”, Chem. Commun., 2019, 55, 5781-5784. https://doi.org/10.1039/c9cc02469g
  117. Benteldjoune, M.; Chini, M. G.; Iannuzzi, A. M.; Kabouche, A.; Kabouche, Z.; Dambola, M.; Marzocco, S.; Autore, G.; Bifulco, G.; De Tommasi, N., “Guaianolides from Ormenis mixta: Structural insights and evaluation of their anti-inflammatory profile.” Planta Med., 2019, 85, 947-956. https://doi.org/10.1055/a-0941-0364
  118. Terracciano, S.; Russo, A.; Chini, M. G.; Vaccaro, M. C.; Potenza, M.; Vassallo, A.; Riccio, R.; Bifulco, G.; Bruno, I., “Discovery of new molecular entities able to strongly interfere with Hsp90 C-terminal domain.”, Sci. Rep., 2018, 8, 1709. https://doi.org/10.1038/s41598-017-14902-y
  119. Terracciano, S.; Lauro, G.; Russo, A.; Vaccaro, M. C.; Vassallo, A.; De Marco, M.; Ranieri, B.; Rosati, A.; Turco, M. C.; Riccio, R.; Bifulco, G.; Bruno, I., “Discovery and synthesis of the first selective BAG domain modulator of BAG3 as an attractive candidate for the development of a new class of chemotherapeutics.”, Chem. Commun., 2018, 54, 7613-7616. https://doi.org/10.1039/c8cc03399d
  120. Maione, F.; Piccolo, M.; De Vita, S.; Chini, M. G.; Cristiano, C.; De Caro, C.; Lippiello, P.; Miniaci, M. C.; Santamaria, R.; Irace, C.; De Feo, V.; Calignano, A.; Mascolo, N.; Bifulco, G., “Down regulation of pro-inflammatory pathways by tanshinone IIA and cryptotanshinone in a non-genetic mouse model of Alzheimer’s disease.”, Pharmacol. Res., 2018, 129, 482-490. https://doi.org/10.1016/j.phrs.2017.11.018
  121. Lauro, G.; Cantone, V.; Potenza, M.; Fischer, K.; Koeberle, A.; Werz, O.; Riccio, R.; Bifulco, G., “Discovery of 3-hydroxy-3-pyrrolin-2-one-based mPGES-1 inhibitors using a multi-step virtual screening protocol.”, MedChemComm, 2018, 9, 2028-2036. https://doi.org/10.1039/c8md00497h
  122. Khalfaoui, A.; Chini, M. G.; Bouheroum, M.; Belaabed, S.; Lauro, G.; Terracciano, S.; Vaccaro, M. C.; Bruno, I.; Benayache, S.; Mancini, I.; Bifulco, G., “Glucopyranosylbianthrones from the Algerian Asphodelus tenuifolius: Structural insights and biological evaluation on melanoma cancer cells.”, J. Nat. Prod., 2018, 81, 1786-1794. https://doi.org/10.1021/acs.jnatprod.8b00234
  123. Jachak, G. R.; Athawale, P. R.; Agarwal, H.; Barthwal, M. K.; Lauro, G.; Bifulco, G.; Srinivasa Reddy, D., “Total synthesis of the potent anti-inflammatory natural product solomonamide A along with structural revision and biological activity evaluation.”, Org. Biomol. Chem., 2018, 16, 9138-9142. https://doi.org/10.1039/c8ob02713g
  124. Giordano, A.; Forte, G.; Massimo, L.; Riccio, R.; Bifulco, G.; Di Micco, S., “Discovery of new erbB4 inhibitors: Repositioning an orphan chemical library by inverse virtual screening.”, Eur. J. Med. Chem., 2018, 152, 253-263. https://doi.org/10.1016/j.ejmech.2018.04.018
  125. Di Micco, S.; Terracciano, S.; Cantone, V.; Fischer, K.; Koeberle, A.; Foglia, A.; Riccio, R.; Werz, O.; Bruno, I.; Bifulco, G., “Discovery of new potent molecular entities able to inhibit mPGES-1.”, Eur. J. Med. Chem., 2018, 143, 1419-1427. https://doi.org/10.1016/j.ejmech.2017.10.039
  126. Di Micco, S.; Pulvirenti, L.; Bruno, I.; Terracciano, S.; Russo, A.; Vaccaro, M. C.; Ruggiero, D.; Muccilli, V.; Cardullo, N.; Tringali, C.; Riccio, R.; Bifulco, G., “Identification by Inverse Virtual Screening of magnolol-based scaffold as new tankyrase-2 inhibitors.”, Bioorg. Med. Chem., 2018, 26, 3953-3957. https://doi.org/10.1016/j.bmc.2018.06.019
  127. Scala, M. C.; Sala, M.; Pietrantoni, A.; Spensiero, A.; Di Micco, S.; Agamennone, M.; Bertamino, A.; Novellino, E.; Bifulco, G.; Gomez-Monterrey, I. M.; Superti, F.; Campiglia, P., “Lactoferrin-derived peptides active towards influenza: Identification of three potent tetrapeptide inhibitors.”, Sci. Rep., 2017, 7, 10593 https://doi.org/10.1038/s41598-017-10492-x
  128. Proto, M. C.; Fiore, D.; Piscopo, C.; Franceschelli, S.; Bizzarro, V.; Laezza, C.; Lauro, G.; Feoli, A.; Tosco, A.; Bifulco, G.; Sbardella, G.; Bifulco, M.; Gazzerro, P., “Inhibition of Wnt/β-Catenin pathway and Histone acetyltransferase activity by Rimonabant: A therapeutic target for colon cancer.”, Sci. Rep., 2017, 7, 11678 https://doi.org/10.1038/s41598-017-11688-x
  129. Maione, F.; Cantone, V.; Pace, S.; Chini, M. G.; Bisio, A.; Romussi, G.; Pieretti, S.; Werz, O.; Koeberle, A.; Mascolo, N.; Bifulco, G., “Anti-inflammatory and analgesic activity of carnosol and carnosic acid in vivo and in vitro and in silico analysis of their target interactions.”, Br. J. Pharmacol., 2017, 174, 1497-1508. https://doi.org/10.1111/bph.13545
  130. Liu, H. B.; Lauro, G.; O’Connor, R. D.; Lohith, K.; Kelly, M.; Colin, P.; Bifulco, G.; Bewley, C. A., “Tulongicin, an antibacterial tri-indole alkaloid from a deep-water Topsentia sp. sponge.”, J. Nat. Prod., 2017, 80, 2556-2560. https://doi.org/10.1021/acs.jnatprod.7b00452
  131. Li, J.; Li, C.; Riccio, R.; Lauro, G.; Bifulco, G.; Li, T. J.; Tang, H.; Zhuang, C. L.; Ma, H.; Sun, P.; Zhang, W., “Chemistry and selective tumor cell growth inhibitory activity of polyketides from the South China Sea sponge Plakortis sp.”, Mar. Drugs, 2017, 15, 129. https://doi.org/10.3390/md15050129
  132. Lauro, G.; Manfra, M.; Pedatella, S.; Fischer, K.; Cantone, V.; Terracciano, S.; Bertamino, A.; Ostacolo, C.; Gomez-Monterrey, I.; De Nisco, M.; Riccio, R.; Novellino, E.; Werz, O.; Campiglia, P.; Bifulco, G., “Identification of novel microsomal prostaglandin E2 synthase-1 (mPGES-1) lead inhibitors from Fragment Virtual Screening.”, Eur. J. Med. Chem., 2017, 125, 278-287. https://doi.org/10.1016/j.ejmech.2016.09.042
  133. Dardić, D.; Lauro, G.; Bifulco, G.; Laboudie, P.; Sakhaii, P.; Bauer, A.; Vilcinskas, A.; Hammann, P. E.; Plaza, A., “Svetamycins A-G, unusual piperazic acid-containing peptides from Streptomyces sp.”, J. Org. Chem., 2017, 82, 6032-6043. https://doi.org/10.1021/acs.joc.7b00228
  134. Cerulli, A.; Lauro, G.; Masullo, M.; Cantone, V.; Olas, B.; Kontek, B.; Nazzaro, F.; Bifulco, G.; Piacente, S., “Cyclic diarylheptanoids from Corylus avellana green leafy covers: Determination of their absolute configurations and evaluation of their antioxidant and antimicrobial activities.”, J. Nat. Prod., 2017, 80, 1703-1713. https://doi.org/10.1021/acs.jnatprod.6b00703
  135. Bertamino, A.; Lauro, G.; Ostacolo, C.; Di Sarno, V.; Musella, S.; Ciaglia, T.; Campiglia, P.; Bifulco, G.; Gomez-Monterrey, I. M., “Ring-fused cyclic aminals from tetrahydro-β-carboline-based dipeptide compounds.”, J. Org. Chem., 2017, 82, 12014-12027. https://doi.org/10.1021/acs.joc.7b01656
  136. Terracciano, S.; Foglia, A.; Chini, M. G.; Vaccaro, M. C.; Russo, A.; Dal Piaz, F.; Saturnino, C.; Riccio, R.; Bifulco, G.; Bruno, I., “New dihydropyrimidin-2(1H)-one based Hsp90 C-terminal inhibitors.”, RSC Adv., 2016, 6, 82330-82340. https://doi.org/10.1039/c6ra17235k
  137. Terracciano, S.; Chini, M. G.; Vaccaro, M. C.; Strocchia, M.; Foglia, A.; Vassallo, A.; Saturnino, C.; Riccio, R.; Bifulco, G.; Bruno, I., “Identification of the key structural elements of a dihydropyrimidinone core driving toward more potent Hsp90 C-terminal inhibitors.”, Chem. Commun., 2016, 52, 12857-12860. https://doi.org/10.1039/c6cc06379a
  138. Terracciano, S.; Chini, M. G.; Vaccaro, M. C.; Strocchia, M.; Foglia, A.; Vassallo, A.; Saturnino, C.; Riccio, R.; Bifulco, G.; Bruno, I., “Correction: Identification of the key structural elements of a dihydropyrimidinone core driving toward more potent Hsp90 C-terminal inhibitors(Chemical Communications (2016) 52 (12857–12860) DOI: 10.1039/C6CC90506D).”, Chem. Commun., 2016, 52, 13515. https://doi.org/10.1039/c6cc90506d
  139. Sun, P.; Yu, Q.; Li, J.; Riccio, R.; Lauro, G.; Bifulco, G.; Kurtán, T.; Mándi, A.; Tang, H.; Li, T. J.; Zhuang, C. L.; Gerwick, W. H.; Zhang, W., “Bissubvilides A and B, Cembrane-capnosane heterodimers from the soft coral Sarcophyton subviride.”, J. Nat. Prod., 2016, 79, 2552-2558. https://doi.org/10.1021/acs.jnatprod.6b00453
  140. Lauro, G.; Tortorella, P.; Bertamino, A.; Ostacolo, C.; Koeberle, A.; Fischer, K.; Bruno, I.; Terracciano, S.; Gomez-Monterrey, I. M.; Tauro, M.; Loiodice, F.; Novellino, E.; Riccio, R.; Werz, O.; Campiglia, P.; Bifulco, G., “Structure-based design of microsomal prostaglandin E2 synthase-1 (mPGES-1) inhibitors using a Virtual Fragment growing optimization scheme.”, ChemMedChem, 2016, 11, 612-619. https://doi.org/10.1002/cmdc.201500598
  141. Di Micco, S.; Spatafora, C.; Cardullo, N.; Riccio, R.; Fischer, K.; Pergola, C.; Koeberle, A.; Werz, O.; Chalal, M.; Vervandier-Fasseur, D.; Tringali, C.; Bifulco, G., “2,3-Dihydrobenzofuran privileged structures as new bioinspired lead compounds for the design of mPGES-1 inhibitors.”, Bioorg. Med. Chem., 2016, 24, 820-826. https://doi.org/10.1016/j.bmc.2016.01.002
  142. Chini, M. G.; Malafronte, N.; Vaccaro, M. C.; Gualtieri, M. J.; Vassallo, A.; Vasaturo, M.; Castellano, S.; Milite, C.; Leone, A.; Bifulco, G.; De Tommasi, N.; Dal Piaz, F., “Identification of limonol derivatives as heat shock protein 90 (Hsp90) inhibitors through a multidisciplinary approach.”, Chem. Eur. J., 2016, 22, 13236-13250. https://doi.org/10.1002/chem.201602242
  143. Bukhari, S. N. A.; Lauro, G.; Jantan, I.; Chee, C. F.; Amjad, M. W.; Bifulco, G.; Sher, H.; Abdullah, I.; Rahman, N. A., “Anti-inflammatory trends of new benzimidazole derivatives.”, Future Med. Chem., 2016, 8, 1953-1967. https://doi.org/10.4155/fmc-2016-0062
  144. Terracciano, S.; Lauro, G.; Strocchia, M.; Fischer, K.; Werz, O.; Riccio, R.; Bruno, I.; Bifulco, G., “Structural insights for the optimization of dihydropyrimidin-2(1H)-one based mPGES-1 inhibitors.”, ACS Med. Chem. Lett., 2015, 6, 187-191. https://doi.org/10.1021/ml500433j
  145. Strocchia, M.; Terracciano, S.; Chini, M. G.; Vassallo, A.; Vaccaro, M. C.; Dal Piaz, F.; Leone, A.; Riccio, R.; Bruno, I.; Bifulco, G., “Targeting the Hsp90 C-terminal domain by the chemically accessible dihydropyrimidinone scaffold.”, Chem. Commun., 2015, 51, 3850-3853. https://doi.org/10.1039/c4cc10074c
  146. Renga, B.; Festa, C.; De Marino, S.; Di Micco, S.; D’Auria, M. V.; Bifulco, G.; Fiorucci, S.; Zampella, A., “Molecular decodification of gymnemic acids from Gymnema sylvestre. Discovery of a new class of liver X receptor antagonists.”, Steroids, 2015, 96, 121-131. https://doi.org/10.1016/j.steroids.2015.01.024
  147. Picaud, S.; Strocchia, M.; Terracciano, S.; Lauro, G.; Mendez, J.; Daniels, D. L.; Riccio, R.; Bifulco, G.; Bruno, I.; Filippakopoulos, P., “9H-purine scaffold reveals induced-fit pocket plasticity of the brd9 bromodomain.”, J. Med. Chem., 2015, 58, 2718-2736. https://doi.org/10.1021/jm501893k
  148. Masullo, M.; Cantone, V.; Cerulli, A.; Lauro, G.; Messano, F.; Russo, G. L.; Pizza, C.; Bifulco, G.; Piacente, S., “Giffonins J-P, highly hydroxylated cyclized diarylheptanoids from the leaves of Corylus avellana Cultivar “Tonda di Giffoni”.”, J. Nat. Prod., 2015, 78, 2975-2982. https://doi.org/10.1021/acs.jnatprod.5b00695
  149. Maione, F.; Cantone, V.; Chini, M. G.; De Feo, V.; Mascolo, N.; Bifulco, G., “Molecular mechanism of tanshinone IIA and cryptotanshinone in platelet anti-aggregating effects: An integrated study of pharmacology and computational analysis.”, Fitoterapia, 2015, 100, 174-178. https://doi.org/10.1016/j.fitote.2014.11.024
  150. Iranshahi, M.; Chini, M. G.; Masullo, M.; Sahebkar, A.; Javidnia, A.; Chitsazian Yazdi, M.; Pergola, C.; Koeberle, A.; Werz, O.; Pizza, C.; Terracciano, S.; Piacente, S.; Bifulco, G., “Can small chemical modifications of natural pan-inhibitors modulate the biological selectivity? The case of curcumin prenylated derivatives acting as HDAC or mPGES-1 inhibitors.”, J. Nat. Prod., 2015, 78, 2867-2879. https://doi.org/10.1021/acs.jnatprod.5b00700
  151. Dal Piaz, F.; Ferro, P.; Vassallo, A.; Vasaturo, M.; Forte, G.; Chini, M. G.; Bifulco, G.; Tosco, A.; De Tommasi, N., “Identification and mechanism of action analysis of the new PARP-1 inhibitor 2″-hydroxygenkwanol A.”, Biochim. Biophys. Acta. Gen. Subj., 2015, 1850, 1806-1814. https://doi.org/10.1016/j.bbagen.2015.05.014
  152. Chini, M. G.; Riccio, R.; Bifulco, G., “Computational NMR methods in the stereochemical analysis of organic compounds: Are proton or carbon NMR chemical shift data more discriminating?”, Eur. J. Org. Chem., 2015, 2015, 1320-1324. https://doi.org/10.1002/ejoc.201403569
  153. Chini, M. G.; Ferroni, C.; Cantone, V.; Dambruoso, P.; Varchi, G.; Pepe, A.; Fischer, K.; Pergola, C.; Werz, O.; Bruno, I.; Riccio, R.; Bifulco, G., “Elucidating new structural features of the triazole scaffold for the development of mPGES-1 inhibitors.”, MedChemComm, 2015, 6, 75-79. https://doi.org/10.1039/c4md00319e
  154. Spatafora, C.; Barresi, V.; Bhusainahalli, V. M.; Di Micco, S.; Musso, N.; Riccio, R.; Bifulco, G.; Condorelli, D.; Tringali, C., “Bio-inspired benzo[k,l]xanthene lignans: Synthesis, DNA-interaction and antiproliferative properties.”, Org. Biomol. Chem., 2014, 12, 2686-2701. https://doi.org/10.1039/c3ob42521e
  155. Scrima, M.; Lauro, G.; Grimaldi, M.; Di Marino, S.; Tosco, A.; Picardi, P.; Gazzerro, P.; Riccio, R.; Novellino, E.; Bifulco, M.; Bifulco, G.; D’Ursi, A. M., “Structural evidence of N6-isopentenyladenosine as a new ligand of farnesyl pyrophosphate synthase.”, J. Med. Chem., 2014, 57, 7798-7803. https://doi.org/10.1021/jm500869x
  156. Nadmid, S.; Plaza, A.; Lauro, G.; Garcia, R.; Bifulco, G.; Müller, R., “Hyalachelins A-C, unusual siderophores isolated from the terrestrial myxobacterium hyalangium minutum.” Org. Lett., 2014, 16, 4130-4133. https://doi.org/10.1021/ol501826a
  157. Masullo, M.; Menegazzi, M.; Di Micco, S.; Beffy, P.; Bifulco, G.; Dal Bosco, M.; Novelli, M.; Pizza, C.; Masiello, P.; Piacente, S., “Direct interaction of garcinol and related polyisoprenylated benzophenones of Garcinia cambogia fruits with the transcription factor STAT-1 as a likely mechanism of their inhibitory effect on cytokine signaling pathways.”, J. Nat. Prod., 2014, 77, 543-549. https://doi.org/10.1021/np400804y
  158. Lauro, G.; Strocchia, M.; Terracciano, S.; Bruno, I.; Fischer, K.; Pergola, C.; Werz, O.; Riccio, R.; Bifulco, G., “Exploration of the dihydropyrimidine scaffold for the development of new potential anti-inflammatory agents blocking prostaglandin E2 synthase-1 enzyme (mPGES-1).”, Eur. J. Med. Chem., 2014, 80, 407-415. https://doi.org/10.1016/j.ejmech.2014.04.061
  159. Gong, J.; Sun, P.; Jiang, N.; Riccio, R.; Lauro, G.; Bifulco, G.; Li, T. J.; Gerwick, W. H.; Zhang, W., “New steroids with a rearranged skeleton as (h)P300 inhibitors from the sponge Theonella swinhoei.”, Org. Lett., 2014, 16, 2224-2227. https://doi.org/10.1021/ol5007345
  160. Di Micco, S.; Renga, B.; Carino, A.; D’Auria, M. V.; Zampella, A.; Riccio, R.; Fiorucci, S.; Bifulco, G., “Structural insights into Estrogen Related Receptor-β modulation: 4-Methylenesterols from Theonella swinhoei sponge as the first example of marine natural antagonists.”, Steroids, 2014, 80, 51-63. https://doi.org/10.1016/j.steroids.2013.11.017
  161. Bukhari, S. N. A.; Lauro, G.; Jantan, I.; Bifulco, G.; Amjad, M. W., “Pharmacological evaluation and docking studies of α,β- unsaturated carbonyl based synthetic compounds as inhibitors of secretory phospholipase A2, cyclooxygenases, lipoxygenase and proinflammatory cytokines.”, Bioorg. Med. Chem., 2014, 22, 4151-4161. https://doi.org/10.1016/j.bmc.2014.05.052
  162. Terracciano, S.; Chini, M. G.; Dal Piaz, F.; Vassallo, A.; Riccio, R.; Bruno, I.; Bifulco, G., “Dimeric and trimeric triazole based molecules as a new class of Hsp90 molecular chaperone inhibitors.”, Eur. J. Med. Chem., 2013, 65, 464-476. https://doi.org/10.1016/j.ejmech.2013.05.016
  163. Piaz, F. D.; Vassallo, A.; Temraz, A.; Cotugno, R.; Belisario, M. A.; Bifulco, G.; Chini, M. G.; Pisano, C.; De Tommasi, N.; Braca, A., “A chemical-biological study reveals C9-type iridoids as novel heat shock protein 90 (Hsp90) inhibitors.”, J. Med. Chem., 2013, 56, 1583-1595. https://doi.org/10.1021/jm301398y
  164. Pauwels, E.; Claeys, D.; Martins, J. C.; Waroquier, M.; Bifulco, G.; Speybroeck, V. V.; Madder, A., “Accurate prediction of 1H chemical shifts in interstrand cross-linked DNA.”, RSC Adv., 2013, 3, 3925-3938. https://doi.org/10.1039/c3ra22408b
  165. Maldini, M.; Di Micco, S.; Montoro, P.; Darra, E.; Mariotto, S.; Bifulco, G.; Pizza, C.; Piacente, S., “Flavanocoumarins from Guazuma ulmifolia bark and evaluation of their affinity for STAT1.”, Phytochemistry, 2013, 86, 64-71. https://doi.org/10.1016/j.phytochem.2012.10.011
  166. Malafronte, N.; Sanogo, R.; Vassallo, A.; De Tommasi, N.; Bifulco, G.; Dal Piaz, F., “Androstanes and pregnanes from Trichilia emetica ssp. suberosa J.J. de Wilde.”, Phytochemistry, 2013, 96, 437-442. https://doi.org/10.1016/j.phytochem.2013.09.019
  167. Festa, C.; D’Amore, C.; Renga, B.; Lauro, G.; De Marino, S.; D’Auria, M. V.; Bifulco, G.; Zampella, A.; Fiorucci, S., “Oxygenated polyketides from Plakinastrella mamillaris as a new chemotype of PXR agonists.”, Mar. Drugs, 2013, 11, 2314-2327. https://doi.org/10.3390/md11072314
  168. Di Micco, S.; Zampella, A.; D’Auria, M. V.; Festa, C.; De Marino, S.; Riccio, R.; Butts, C. P.; Bifulco, G., “Plakilactones G and H from a marine sponge. Stereochemical determination of highly flexible systems by quantitative NMR-derived interproton distances combined with quantum mechanical calculations of 13C chemical shifts.”, Beilstein J. Org. Chem., 2013, 9, 2940-2949. https://doi.org/10.3762/bjoc.9.331
  169. Di Micco, S.; Chini, M. G.; Terracciano, S.; Bruno, I.; Riccio, R.; Bifulco, G., “Structural basis for the design and synthesis of selective HDAC inhibitors.”, Bioorg. Med. Chem., 2013, 21, 3795-3807. https://doi.org/10.1016/j.bmc.2013.04.036
  170. Dal Piaz, F.; Cotugno, R.; Lepore, L.; Vassallo, A.; Malafronte, N.; Lauro, G.; Bifulco, G.; Belisario, M. A.; De Tommasi, N., “Chemical proteomics reveals Hsp70 1A as a target for the anticancer diterpene oridonin in Jurkat cells.”, J. Proteomics, 2013, 82, 14-26. https://doi.org/10.1016/j.jprot.2013.01.030
  171. Bifulco, G.; Riccio, R.; Martin, G. E.; Buevich, A. V.; Williamson, R. T., “Quantum chemical calculations of 1JCC coupling constants for the stereochemical determination of organic compounds.”, Org. Lett., 2013, 15, 654-657. https://doi.org/10.1021/ol3034803
  172. Terracciano, S.; Chini, M. G.; Riccio, R.; Bruno, I.; Bifulco, G., “Design, synthesis, and biological activity of hydroxamic tertiary amines as histone deacetylase inhibitors.”, ChemMedChem, 2012, 7, 694-702. https://doi.org/10.1002/cmdc.201100531
  173. Sepe, V.; Ummarino, R.; D’Auria, M. V.; Taglialatela-Scafati, O.; De Marino, S.; D’Amore, C.; Renga, B.; Chini, M. G.; Bifulco, G.; Nakao, Y.; Fusetani, N.; Fiorucci, S.; Zampella, A., “Preliminary structure-activity relationship on theonellasterol, a new chemotype of FXR antagonist, from the marine sponge Theonella swinhoei.”, Mar. Drugs, 2012, 10, 2448-2466. https://doi.org/10.3390/md10112448
  174. Sepe, V.; Ummarino, R.; D’Auria, M. V.; Lauro, G.; Bifulco, G.; D’Amore, C.; Renga, B.; Fiorucci, S.; Zampella, A., “Modification in the side chain of solomonsterol A: Discovery of cholestan disulfate as a potent pregnane-X-receptor agonist.”, Org. Biomol. Chem., 2012, 10, 6350-6362. https://doi.org/10.1039/c2ob25800e
  175. Sepe, V.; Ummarino, R.; Dauria, M. V.; Chini, M. G.; Bifulco, G.; Renga, B.; Damore, C.; Debitus, C.; Fiorucci, S.; Zampella, A., “Conicasterol E, a small heterodimer partner sparing farnesoid X receptor modulator endowed with a pregnane X receptor agonistic activity, from the marine sponge Theonella swinhoei.”, J. Med. Chem., 2012, 55, 84-93. https://doi.org/10.1021/jm201004p
  176. Renga, B.; Mencarelli, A.; D’Amore, C.; Cipriani, S.; D’Auria, M. V.; Sepe, V.; Chini, M. G.; Monti, M. C.; Bifulco, G.; Zampella, A.; Fiorucci, S., “Discovery that theonellasterol a marine sponge sterol is a highly selective FXR antagonist that protects against liver injury in cholestasis.”, PLoS One, 2012, 7, e30443. https://doi.org/10.1371/journal.pone.0030443
  177. Plaza, A.; Garcia, R.; Bifulco, G.; Martinez, J. P.; Hüttel, S.; Sasse, F.; Meyerhans, A.; Stadler, M.; Müller, R., “Aetheramides A and B, potent HIV-inhibitory depsipeptides from a myxobacterium of the new genus Aetherobacter.”, Org. Lett., 2012, 14, 2854-2857. https://doi.org/10.1021/ol3011002
  178. Margarucci, L.; Monti, M. C.; Chini, M. G.; Tosco, A.; Riccio, R.; Bifulco, G.; Casapullo, A., “The inactivation mechanism of human group IIA phospholipase A2 by scalaradial.”, ChemBioChem, 2012, 13, 2259-2264. https://doi.org/10.1002/cbic.201200453
  179. Lauro, G.; Masullo, M.; Piacente, S.; Riccio, R.; Bifulco, G., “Inverse Virtual Screening allows the discovery of the biological activity of natural compounds.”, Bioorg. Med. Chem., 2012, 20, 3596-3602. https://doi.org/10.1016/j.bmc.2012.03.072
  180. Fiorucci, S.; Distrutti, E.; Bifulco, G.; D’Auria, M. V.; Zampella, A., “Marine sponge steroids as nuclear receptor ligands.”, Trends Pharmacol. Sci., 2012, 33, 591-601. https://doi.org/10.1016/j.tips.2012.08.004
  181. Festa, C.; Lauro, G.; De Marino, S.; D’Auria, M. V.; Monti, M. C.; Casapullo, A.; D’Amore, C.; Renga, B.; Mencarelli, A.; Petek, S.; Bifulco, G.; Fiorucci, S.; Zampella, A., “Plakilactones from the marine sponge Plakinastrella mamillaris. Discovery of a new class of marine ligands of peroxisome proliferator-activated receptor γ.”, J. Med. Chem., 2012, 55, 8303-8317. https://doi.org/10.1021/jm300911g
  182. Festa, C.; De Marino, S.; D’Auria, M. V.; Deharo, E.; Gonzalez, G.; Deyssard, C.; Petek, S.; Bifulco, G.; Zampella, A., “Gracilioethers E-J, new oxygenated polyketides from the marine sponge Plakinastrella mamillaris.”, Tetrahedron, 2012, 68, 10157-10163. https://doi.org/10.1016/j.tet.2012.09.106
  183. Di Micco, S.; Chini, M. G.; Riccio, R.; Bifulco, G. “Quantum chemical calculation of chemical shifts in the stereochemical determination of organic compounds: A practical approach.” In Handbook of Marine Natural Products, 2012, pp 571-599. https://doi.org/10.1007/978-90-481-3834-0_10
  184. De Marino, S.; Ummarino, R.; D’Auria, M. V.; Chini, M. G.; Bifulco, G.; D’Amore, C.; Renga, B.; Mencarelli, A.; Petek, S.; Fiorucci, S.; Zampella, A., “4-Methylenesterols from Theonella swinhoei sponge are natural pregnane-X-receptor agonists and farnesoid-X-receptor antagonists that modulate innate immunity.”, Steroids, 2012, 77, 484-495. https://doi.org/10.1016/j.steroids.2012.01.006
  185. Dal Piaz, F.; Vassallo, A.; Chini, M. G.; Cordero, F. M.; Cardona, F.; Pisano, C.; Bifulco, G.; de Tommasi, N.; Brandi, A., “Natural iminosugar (+)-lentiginosine inhibits ATPase and chaperone activity of Hsp90.”, PLoS One, 2012, 7, e43316. https://doi.org/10.1371/journal.pone.0043316
  186. Dal Piaz, F.; Malafronte, N.; Romano, A.; Gallotta, D.; Belisario, M. A.; Bifulco, G.; Gualtieri, M. J.; Sanogo, R.; De Tommasi, N.; Pisano, C., “Structural characterization of tetranortriterpenes from Pseudrocedrela kotschyi and Trichilia emetica and study of their activity towards the chaperone Hsp90.”, Phytochemistry, 2012, 75, 78-89. https://doi.org/10.1016/j.phytochem.2011.12.002
  187. Cini, E.; Bifulco, G.; Menchi, G.; Rodriquez, M.; Taddei, M., “Synthesis of enantiopure 7-substituted azepane-2-carboxylic acids as templates for conformationally constrained peptidomimetics.”, Eur. J. Org. Chem., 2012, 2012, 2133-2141. https://doi.org/10.1002/ejoc.201101387
  188. Chini, M. G.; Jones, C. R.; Zampella, A.; D’Auria, M. V.; Renga, B.; Fiorucci, S.; Butts, C. P.; Bifulco, G., “Quantitative NMR-derived interproton distances combined with quantum mechanical calculations of 13C chemical shifts in the stereochemical determination of conicasterol F, a nuclear receptor ligand from Theonella swinhoei.”, J. Org. Chem., 2012, 77, 1489-1496. https://doi.org/10.1021/jo2023763
  189. Chini, M. G.; De Simone, R.; Bruno, I.; Riccio, R.; Dehm, F.; Weinigel, C.; Barz, D.; Werz, O.; Bifulco, G., “Design and synthesis of a second series of triazole-based compounds as potent dual mPGES-1 and 5-lipoxygenase inhibitors.”, Eur. J. Med. Chem., 2012, 54, 311-323. https://doi.org/10.1016/j.ejmech.2012.05.014
  190. Cheruku, P.; Plaza, A.; Lauro, G.; Keffer, J.; Lloyd, J. R.; Bifulco, G.; Bewley, C. A., “Discovery and synthesis of namalide reveals a new anabaenopeptin scaffold and peptidase inhibitor.”, J. Med. Chem., 2012, 55, 735-742. https://doi.org/10.1021/jm201238p
  191. Sepe, V.; Bifulco, G.; Renga, B.; D’Amore, C.; Fiorucci, S.; Zampella, A., “Discovery of sulfated sterols from marine invertebrates as a new class of marine natural antagonists of farnesoid-x-receptor.”, J. Med. Chem., 2011, 54, 1314-1320. https://doi.org/10.1021/jm101336m
  192. Monti, M. C.; Chini, M. G.; Margarucci, L.; Riccio, R.; Bifulco, G.; Casapullo, A., “The binding mode of cladocoran A to the human group IIA phospholipase A2.”, ChemBioChem, 2011, 12, 2686-2691. https://doi.org/10.1002/cbic.201100478
  193. Lauro, G.; Romano, A.; Riccio, R.; Bifulco, G., “Inverse virtual screening of antitumor targets: Pilot study on a small database of natural bioactive compounds.”, J. Nat. Prod., 2011, 74, 1401-1407. https://doi.org/10.1021/np100935s
  194. Fiorucci, S.; Cipriani, S.; Mencarelli, A.; Baldelli, F.; Bifulco, G.; Zampella, A., “Farnesoid x receptor agonist for the treatment of liver and metabolic disorders: Focus on 6-ethyl-CDCA.”, Mini-Rev. Med. Chem., 2011, 11, 753-762. https://doi.org/10.2174/138955711796355258
  195. Festa, C.; De Marino, S.; Sepe, V.; D’Auria, M. V.; Bifulco, G.; Débitus, C.; Bucci, M.; Vellecco, V.; Zampella, A., “Solomonamides A and B, new anti-inflammatory peptides from Theonella swinhoei.”, Org. Lett., 2011, 13, 1532-1535. https://doi.org/10.1021/ol200221n
  196. Festa, C.; De Marino, S.; Sepe, V.; D’Auria, M. V.; Bifulco, G.; Andrés, R.; Terencio, M. C.; Payá, M.; Debitus, C.; Zampella, A., “Perthamides C-F, potent human antipsoriatic cyclopeptides.”, Tetrahedron, 2011, 67, 7780-7786. https://doi.org/10.1016/j.tet.2011.07.077
  197. Festa, C.; De Marino, S.; Dauria, M. V.; Bifulco, G.; Renga, B.; Fiorucci, S.; Petek, S.; Zampella, A., “Solomonsterols A and B from Theonella swinhoei. The first example of C-24 and C-23 sulfated sterols from a marine source endowed with a PXR agonistic activity.”, J. Med. Chem., 2011, 54, 401-405. https://doi.org/10.1021/jm100968b
  198. Di Micco, S.; Mazué, F.; Daquino, C.; Spatafora, C.; Delmas, D.; Latruffe, N.; Tringali, C.; Riccio, R.; Bifulco, G., “Structural basis for the potential antitumour activity of DNA-interacting benzo[kl]xanthene lignans.”, Org. Biomol. Chem., 2011, 9, 701-710. https://doi.org/10.1039/c0ob00480d
  199. De Simone, R.; Chini, M. G.; Bruno, I.; Riccio, R.; Mueller, D.; Werz, O.; Bifulco, G., “Structure-based discovery of inhibitors of microsomal prostaglandin E2 synthase-1, 5-lipoxygenase and 5-lipoxygenase-activating protein: Promising hits for the development of new anti-inflammatory agents.”, J. Med. Chem., 2011, 54, 1565-1575. https://doi.org/10.1021/jm101238d
  200. De Marino, S.; Ummarino, R.; D’Auria, M. V.; Chini, M. G.; Bifulco, G.; Renga, B.; D’Amore, C.; Fiorucci, S.; Debitus, C.; Zampella, A., “Theonellasterols and conicasterols from Theonella swinhoei. Novel marine natural ligands for human nuclear receptors.”, J. Med. Chem., 2011, 54, 3065-3075. https://doi.org/10.1021/jm200169t
  201. De Marino, S.; Sepe, V.; D’Auria, M. V.; Bifulco, G.; Renga, B.; Petek, S.; Fiorucci, S.; Zampella, A., “Towards new ligands of nuclear receptors. Discovery of malaitasterol A, an unique bis-secosterol from marine sponge Theonella swinhoei.”, Org. Biomol. Chem., 2011, 9, 4856-4862. https://doi.org/10.1039/c1ob05378g
  202. Cipriani, S.; Mencarelli, A.; Chini, M. G.; Distrutti, E.; Renga, B.; Bifulco, G.; Baldelli, F.; Donini, A.; Fiorucci, S., “The bile acid receptor GPBAR-1 (TGR5) modulates integrity of intestinal barrier and immune response to experimental colitis.”, PLoS One, 2011, 6, e25637. https://doi.org/10.1371/journal.pone.0025637
  203. Terracciano, S.; Di Micco, S.; Bifulco, G.; Gallinari, P.; Riccio, R.; Bruno, I., “Synthesis and biological activity of cyclotetrapeptide analogues of the natural HDAC inhibitor FR235222.”, Bioorg. Med. Chem., 2010, 18, 3252-3260. https://doi.org/10.1016/j.bmc.2010.03.022
  204. Terracciano, S.; Chini, M. G.; Bifulco, G.; D’Amico, E.; Marzocco, S.; Riccio, R.; Bruno, I., “Synthesis of new mono and bis amides projected as potential histone deacetylase (HDAC) inhibitors.”, Tetrahedron, 2010, 66, 2520-2528. https://doi.org/10.1016/j.tet.2010.01.061
  205. Sepe, V.; D’Auria, M. V.; Bifulco, G.; Ummarino, R.; Zampella, A., “Concise synthesis of AHMHA unit in perthamide C. Structural and stereochemical revision of perthamide C.”, Tetrahedron, 2010, 66, 7520-7526. https://doi.org/10.1016/j.tet.2010.07.060
  206. Samorì, C.; Beretta, G. L.; Varchi, G.; Guerrini, A.; di Micco, S.; Basili, S.; Bifulco, G.; Riccio, R.; Moro, S.; Bombardelli, E.; Zunino, F.; Fontana, G., “Structure-activity relationship study of 16a-thiocamptothecins: An integrated in vitro and in silico approach.”, ChemMedChem, 2010, 5, 2006-2015. https://doi.org/10.1002/cmdc.201000369
  207. Plaza, A.; Keffer, J. L.; Bifulco, G.; Lloyd, J. R.; Bewley, C. A., “Chrysophaentins A-H, antibacterial bisdiarylbutene macrocycles that inhibit the bacterial cell division protein FtsZ.”, J. Am. Chem. Soc., 2010, 132, 9069-9077. https://doi.org/10.1021/ja102100h
  208. Plaza, A.; Bifulco, G.; Masullo, M.; Lloyd, J. R.; Keffer, J. L.; Colin, P. L.; Hooper, J. N. A.; Bell, L. J.; Bewley, C. A., “Mutremdamide A and koshikamides C-H, peptide inhibitors of HIV-1 entry from different Theonella species.”, J. Org. Chem., 2010, 75, 4344-4355. https://doi.org/10.1021/jo100076g
  209. Pirali, T.; Faccio, V.; Mossetti, R.; Grolla, A. A.; Di Micco, S.; Bifulco, G.; Genazzani, A. A.; Tron, G. C., “Synthesis, molecular docking and biological evaluation as HDAC inhibitors of cyclopeptide mimetics by a tandem three-component reaction and intramolecular [3+2] cycloaddition.”, Mol. Divers., 2010, 14, 109-121. https://doi.org/10.1007/s11030-009-9153-9
  210. Palermo, G.; Riccio, R.; Bifulco, G., “Effect of electronegative substituents and angular dependence on the heteronuclear spin-spin coupling constant 3JC-H an empirical prediction equation derived by density functional theory calculations.”, J. Org. Chem., 2010, 75, 1982-1991. https://doi.org/10.1021/jo902704u
  211. Masullo, M.; Bassarello, C.; Bifulco, G.; Piacente, S., “Polyisoprenylated benzophenone derivatives from the fruits of Garcinia cambogia and their absolute configuration by quantum chemical circular dichroism calculations.” Tetrahedron, 2010, 66, 139-145. https://doi.org/10.1016/j.tet.2009.11.034
  212. Di Micco, S.; Chini, M. G.; Riccio, R.; Bifulco, G., “Quantum mechanical calculation of NMR parameters in the stereostructural determination of natural products.”, Eur. J. Org., Chem. 2010, 1411-1434. https://doi.org/10.1002/ejoc.200901255
  213. Colombano, G.; Travelli, C.; Galli, U.; Caldarelli, A.; Chini, M. G.; Canonico, P. L.; Sorba, G.; Bifulco, G.; Tron, G. C.; Genazzani, A. A., “A novel potent nicotinamide phosphoribosyltransferase inhibitor synthesized via click chemistry.”, J. Med. Chem., 2010, 53, 616-623. https://doi.org/10.1021/jm9010669
  214. Chini, M. G.; Terracciano, S.; Riccio, R.; Bifulco, G.; Ciao, R.; Gaeta, C.; Troisi, F.; Neri, P., “Conformationally locked calixarene-based histone deacetylase inhibitors.” Org. Lett., 2010, 12, 5382-5385. https://doi.org/10.1021/ol102420b
  215. Zarra, R.; Montesarchio, D.; Coppola, C.; Bifulco, G.; Di Micco, S.; Izzo, I.; De Riccardis, F., “Design, synthesis, and hybridisation of water-soluble, peptoid nucleic acid oligomers tagged with thymine.”, Eur. J. Org. Chem., 2009, 2009, 6113-6120. https://doi.org/10.1002/ejoc.200900781
  216. Plaza, A.; Bifulco, G.; Keffer, J. L.; Lloyd, J. R.; Baker, H. L.; Bewley, C. A., “Celebesides A-C and theopapuamides B-D, depsipeptides from an indonesian sponge that inhibit HIV-1 entry.”, J. Org. Chem., 2009, 74, 504-512. https://doi.org/10.1021/jo802232u
  217. Monti, M. C.; Chini, M. G.; Margarucci, L.; Tosco, A.; Riccio, R.; Bifulco, G.; Casapullo, A., “The molecular mechanism of human group IIA phospholipase A2 inactivation by bolinaquinone.”, J. Mol. Recognit., 2009, 22, 530-537. https://doi.org/10.1002/jmr.968
  218. Grolla, A. A.; Podestà, V.; Chini, M. G.; Di Micco, S.; Vallario, A.; Genazzani, A. A.; Canonico, P. L.; Bifulco, G.; Tron, G. C.; Sorba, G.; Pirali, T., “Synthesis, biological evaluation, and molecular docking of Ugi products containing a zinc-chelating moiety as novel inhibitors of histone deacetylases.”, J. Med. Chem., 2009, 52, 2776-2785. https://doi.org/10.1021/jm801529c
  219. Filosa, R.; Peduto, A.; Di Micco, S.; Caprariis, P. d.; Festa, M.; Petrella, A.; Capranico, G.; Bifulco, G., “Molecular modelling studies, synthesis and biological activity of a series of novel bisnaphthalimides and their development as new DNA topoisomerase II inhibitors.”, Bioorg. Med. Chem., 2009, 17, 13-24. https://doi.org/10.1016/j.bmc.2008.11.024
  220. Di Micco, S.; Vitale, R.; Pellecchia, M.; Rega, M. F.; Riva, R.; Basso, A.; Bifulco, G., “Identification of lead compounds as antagonists of protein Bcl-xL with a diversity-oriented multidisciplinary approach.”, J. Med. Chem., 2009, 52, 7856-7867. https://doi.org/10.1021/jm9010687
  221. De Cola, C.; Licen, S.; Comegna, D.; Cafaro, E.; Bifulco, G.; Izzo, I.; Tecilla, P.; De Riccardis, F., “Size-dependent cation transport by cyclic α-peptoid ion carriers.” Org. Biomol. Chem., 2009, 7, 2851-2854. https://doi.org/10.1039/b905665c
  222. Chini, M. G.; Scrima, M.; D’Ursi, A. M.; Bifulco, G., “Fibril aggregation inhibitory activity of the β-sheet breaker peptides: A molecular docking approach.”, J. Pept. Sci., 2009, 15, 229-234. https://doi.org/10.1002/psc.1095
  223. Terracciano, S.; Bruno, I.; D’Amico, E.; Bifulco, G.; Zampella, A.; Sepe, V.; Smith, C. D.; Riccio, R., “Synthetic and pharmacological studies on new simplified analogues of the potent actin-targeting Jaspamide.”, Bioorg. Med. Chem., 2008, 16, 6580-6588. https://doi.org/10.1016/j.bmc.2008.05.019
  224. Maulucci, N.; Izzo, I.; Bifulco, G.; Aliberti, A.; De Cola, C.; Comegna, D.; Gaeta, C.; Napolitano, A.; Pizza, C.; Tedesco, C.; Flot, D.; De Riccardis, F., “Synthesis, structures, and properties of nine-, twelve-, and eighteen-membered N-benzyloxyethyl cyclic α-peptoids.”, Chem. Commun., 2008, 2008, 3927-3929. https://doi.org/10.1039/b806508j
  225. Di Micco, S.; Terracciano, S.; Bruno, I.; Rodriquez, M.; Riccio, R.; Taddei, M.; Bifulco, G., “Molecular modeling studies toward the structural optimization of new cyclopeptide-based HDAC inhibitors modeled on the natural product FR235222.”, Bioorg. Med. Chem., 2008, 16, 8635-8642. https://doi.org/10.1016/j.bmc.2008.08.003
  226. Di Micco, S.; Boger, D. L.; Riccio, R.; Bifulco, G., “Structural features of the (+)-yatakemycin/d(GACTAATTGAC)-(GTCAATTAGTC) complex – Quantum mechanical calculation of NMR parameters as a tool for the characterization of ligand/DNA interactions.”, Eur. J. Org. Chem., 2008, 2008, 2454-2462. https://doi.org/10.1002/ejoc.200701212
  227. Chini, M. G.; Riccio, R.; Bifulco, G., “DFT/NMR integrated approach: A valid support to the total synthesis of chiral molecules.”, Magn. Reson. Chem., 2008, 46, 962-968. https://doi.org/10.1002/mrc.2288
  228. Bifulco, G.; Mangoni, A., “1H-1H scalar coupling across two stacked aromatic rings: DFT calculations and experimental proof.”, Magn. Reson. Chem., 2008, 46, 199-201. https://doi.org/10.1002/mrc.2171
  229. Troisi, F.; Russo, A.; Gaeta, C.; Bifulco, G.; Neri, P., “Aramidocalix[4]arenes as new anion receptors.”, Tetrahedron Lett., 2007, 48, 7986-7989. https://doi.org/10.1016/j.tetlet.2007.09.046
  230. Rosselli, S.; Bruno, M.; Maggio, A.; Bellone, G.; Formisano, C.; Mattia, C. A.; Di Micco, S.; Bifulco, G., “Two new flavonoids from Bonannia graeca: A DFT-NMR combined approach in solving structures.”, Eur. J. Org. Chem., 2007, 2007, 2504-2510. https://doi.org/10.1002/ejoc.200600969
  231. Maulucci, N.; Chini, M. G.; Di Micco, S.; Izzo, I.; Cafaro, E.; Russo, A.; Gallinari, P.; Paolini, C.; Nardi, M. C.; Casapullo, A.; Riccio, R.; Bifulco, G.; De Riccardis, F., “Molecular insights into azumamide E histone deacetylases inhibitory activity.”, J. Am. Chem. Soc., 2007, 129, 3007-3012. https://doi.org/10.1021/ja0686256
  232. Martino, L.; Virno, A.; Pagano, B.; Virgilio, A.; Di Micco, S.; Galeone, A.; Giancola, C.; Bifulco, G.; Mayol, L.; Randazzo, A., “Structural and thermodynamic studies of the interaction of distamycin A with the parallel quadruplex structure [d(TGGGGT)]4.”, J. Am. Chem. Soc., 2007, 129, 16048-16056. https://doi.org/10.1021/ja075710k
  233. Manzo, E.; Gavagnin, M.; Bifulco, G.; Cimino, P.; Di Micco, S.; Ciavatta, M. L.; Guo, Y. W.; Cimino, G., “Aplysiols A and B, squalene-derived polyethers from the mantle of the sea hare Aplysia dactylomela.”, Tetrahedron, 2007, 63, 9970-9978. https://doi.org/10.1016/j.tet.2007.07.055
  234. D’Ursi, A.; Caliendo, G.; Perissutti, E.; Santagada, V.; Severino, B.; Albrizio, S.; Bifulco, G.; Spisani, S.; Temussi, P. A., “Conformation – Activity relationship of peptide T and new pseudocyclic hexapeptide analogs.”, J. Pept. Sci., 2007, 13, 413-421. https://doi.org/10.1002/psc.865
  235. Bifulco, G.; Riccio, R.; Gaeta, C.; Neri, P., “Quantum mechanical calculations of conformationally relevant 1H and 13C NMR chemical shifts of N-, O-, and S-substituted calixarene systems.”, Chem. Eur. J., 2007, 13, 7185-7194. https://doi.org/10.1002/chem.200700238
  236. Bifulco, G.; Dambruoso, P.; Gomez-Paloma, L.; Riccio, R., “Determination of relative configuration in organic compounds by NMR spectroscopy and computational methods.” Chem. Rev., 2007, 107, 3744-3779. https://doi.org/10.1021/cr030733c
  237. Bassarello, C.; Bifulco, G.; Montoro, P.; Skhirtladze, A.; Kemertelidze, E.; Pizza, C.; Piacente, S., “Gloriosaols A and B, two novel phenolics from Yucca gloriosa: structural characterization and configurational assignment by a combined NMR-quantum mechanical strategy.”, Tetrahedron, 2007, 63, 148-154. https://doi.org/10.1016/j.tet.2006.10.034
  238. Bassarello, C.; Bifulco, G.; Montoro, P.; Skhirtladze, A.; Benidze, M.; Kemertelidze, E.; Pizza, C.; Piacente, S., “Yucca gloriosa: A source of phenolic derivatives with strong antioxidant activity.”, J. Agric. Food. Chem., 2007, 55, 6636-6642. https://doi.org/10.1021/jf071131n
  239. Sepe, V.; D’Orsi, R.; Borbone, N.; Valeria D’Auria, M.; Bifulco, G.; Monti, M. C.; Catania, A.; Zampella, A., “Callipeltins F-I: New antifungal peptides from the marine sponge Latrunculia sp.”, Tetrahedron, 2006, 62, 833-840. https://doi.org/10.1016/j.tet.2005.10.058
  240. Rodriquez, M.; Terracciano, S.; Cini, E.; Settembrini, G.; Bruno, I.; Bifulco, G.; Taddei, M.; Gomez-Paloma, L., “Total synthesis, NMR solution structure, and binding model of the potent histone deacetylase inhibitor FR235222.”, Angew. Chem. Int. Ed., 2006, 45, 423-427. https://doi.org/10.1002/anie.200501995
  241. Piccialli, V.; Caserta, T.; Caruso, L.; Gomez-Paloma, L.; Bifulco, G., “RuO4-mediated oxidative polycyclization of linear polyenes. A new approach to the synthesis of the bis-THF diol core of antitumour cis-cis adjacent bis-THF annonaceous acetogenins.”, Tetrahedron, 2006, 62, 10989-11007. https://doi.org/10.1016/j.tet.2006.08.038
  242. Izzo, I.; Maulucci, N.; Bifulco, G.; De Riccardis, F., “Total synthesis of azumamides A and E.”, Angew. Chem. Int. Ed., 2006, 45, 7557-7560. https://doi.org/10.1002/anie.200602033
  243. Di Marzo, M.; Casapullo, A.; Bifulco, G.; Cimino, P.; Ligresti, A.; Di Marzo, V.; Riccio, R.; Gomez-Paloma, L., “Synthesis, conformational analysis and CB1 binding affinity of hairpin-like anandamide pseudopeptide mimetics.”, J. Pept. Sci., 2006, 12, 575-591. https://doi.org/10.1002/psc.754
  244. Cimino, P.; Bifulco, G.; Riccio, R.; Gomez-Paloma, L.; Barone, V., “On the role of stereo-electronic effects in tuning the selectivity and rate of DNA alkylation by duocarmycins.”, Org. Biomol. Chem., 2006, 4, 1242-1251. https://doi.org/10.1039/b514890a
  245. Bruno, I.; Dambruoso, P.; Terracciano, S.; Bifulco, G. “Critical surveys covering the year 2004: Total synthesis of natural products.” In Seminars in Organic Synthesis, 2006, Vol. 15, pp 289-322.
  246. Bassarello, C.; Zampella, A.; Monti, M. C.; Gomez-Paloma, L.; D’Auria, M. V.; Riccio, R.; Bifulco, G., “Quantum mechanical calculation of coupling constants in the configurational analysis of flexible systems: Determination of the configuration of callipeltin A.”, Eur. J. Org. Chem., 2006, 2006, 604-609. https://doi.org/10.1002/ejoc.200500740
  247. Terracciano, S.; Bruno, I.; Bifulco, G.; Avallone, E.; Smith, C. D.; Gomez-Paloma, L.; Riccio, R., “Synthesis, solution structure, and bioactivity of six new simplified analogues of the natural cyclodepsipeptide jaspamide.”, Bioorg. Med. Chem., 2005, 13, 5225-5239. https://doi.org/10.1016/j.bmc.2005.05.042
  248. Rodriquez, M.; Bassarello, C.; Bifulco, G.; Gomez-Paloma, L.; Mann, A.; Marchetti, M.; Schoenfelder, A.; Taddei, M., “Synthesis of kainoids via a highly stereoselective hydroformylation of kainic acid.”, Synlett, 2005, 2005, 1581-1585. https://doi.org/10.1055/s-2005-869835
  249. Plaza, A.; Perrone, A.; Balestrieri, C.; Balestrieri, M. L.; Bifulco, G.; Carbone, V.; Hamed, A.; Pizza, C.; Piacente, S., “New antiproliferative 14,15-secopregnane glycosides from Solenostemma argel.”, Tetrahedron, 2005, 61, 7470-7480. https://doi.org/10.1016/j.tet.2005.05.048
  250. Di Micco, S.; Bassarello, C.; Bifulco, G.; Riccio, R.; Gomez-Paloma, L., “Differential-frequency saturation transfer difference NMR spectroscopy allows the detection of different ligand-DNA binding modes.”, Angew. Chem. Int. Ed., 2005, 45, 224-228. https://doi.org/10.1002/anie.200501344
  251. Dambruoso, P.; Bassarello, C.; Bifulco, G.; Appendino, G.; Battaglia, A.; Guerrini, A.; Fontana, G.; Gomez-Paloma, L., “2′-Methyl taxanes: Synthesis and NMR configurational assignment.”, Tetrahedron Lett., 2005, 46, 3411-3415. https://doi.org/10.1016/j.tetlet.2005.03.095
  252. Dambruoso, P.; Bassarello, C.; Bifulco, G.; Appendino, G.; Battaglia, A.; Fontana, G.; Gomez-Paloma, L., “Advances in the Universal NMR Database approach. 2′-Substituted taxanes as probes for an improved protocol of diastereomeric differentiation.”, Org. Lett., 2005, 7, 983-986. https://doi.org/10.1021/ol047600d
  253. Caserta, T.; Piccialli, V.; Gomez-Paloma, L.; Bifulco, G., “RuO4-catalyzed oxidative polycyclization of squalene. Determination of the configuration of the penta-tetrahydrofuranyl diol product.”, Tetrahedron, 2005, 61, 927-939. https://doi.org/10.1016/j.tet.2004.11.018
  254. Bifulco, G.; Gomez-Paloma, L.; Riccio, R.; Gaeta, C.; Troisi, F.; Neri, P., “Quantum mechanical calculations of conformationally relevant 1H and 13C NMR chemical shifts of calixarene systems.”, Org. Lett., 2005, 7, 5757-5760. https://doi.org/10.1021/ol052166g
  255. Ardá, A.; Rodríguez, J.; Nieto, R. M.; Bassarello, C.; Gomez-Paloma, L.; Bifulco, G.; Jiménez, C., “NMR J-based analysis of nitrogen-containing moieties and application to dysithiazolamide, a new polychlorinated dipeptide from Dysidea sp.”, Tetrahedron, 2005, 61, 10093-10098. https://doi.org/10.1016/j.tet.2005.08.011
  256. Terracciano, S.; Bruno, I.; Bifulco, G.; Copper, J. E.; Smith, C. D.; Gomez-Paloma, L.; Riccio, R., “Synthesis, conformational analysis, and cytotoxicity of new analogues of the natural cyclodepsipeptide jaspamide.”, J. Nat. Prod., 2004, 67, 1325-1331. https://doi.org/10.1021/np049955b
  257. Plaza, A.; Piacente, S.; Perrone, A.; Hamed, A.; Pizza, C.; Bifulco, G., “Stemmosides C and D, two novel unusual pregnane glycosides from Solenostemma argel: Structural elucidation and configurational study by a combined NMR-quantum mechanical strategy.”, Tetrahedron, 2004, 60, 12201-12209. https://doi.org/10.1016/j.tet.2004.10.021
  258. Izzo, I.; Della Monica, C.; Bifulco, G.; De Riccardis, F., “Studies towards the total synthesis of contignasterol.”, Tetrahedron, 2004, 60, 5577-5586. https://doi.org/10.1016/j.tet.2004.04.083
  259. Duca, D.; Bifulco, G.; Barone, G.; Casapullo, A.; Fontana, A., “SCSA code: Applications on the cyclopeptide renieramide.”, J. Chem. Inf. Comput. Sci., 2004, 44, 1024-1030. https://doi.org/10.1021/ci034258v
  260. Cimino, P.; Improta, R.; Bifulco, G.; Riccio, R.; Gomez-Paloma, L.; Barone, V., “Nucleophilic cyclopropane ring opening in duocarmycin SA derivatives by methanol under acid conditions: A quantum mechanical study in the gas-phase and in solution.”, J. Org. Chem., 2004, 69, 2816-2824. https://doi.org/10.1021/jo0303517
  261. Cimino, P.; Gomez-Paloma, L.; Duca, D.; Riccio, R.; Bifulco, G., “Comparison of different theory models and basis sets in the calculation of 13C NMR chemical shifts of natural products.”, Magn. Reson. Chem., 2004, 42, S26-S33. https://doi.org/10.1002/mrc.1410
  262. Bifulco, G.; Bassarello, C.; Riccio, R.; Gomez-Paloma, L., “Quantum mechanical calculations of NMR J coupling values in the determination of relative configuration in organic compounds.”, Org. Lett., 2004, 6, 1025-1028. https://doi.org/10.1021/ol049913e
  263. Bassarello, C.; Lazzaroni, S.; Bifulco, G.; Lo Cantore, P.; Iacobellis, N. S.; Riccio, R.; Gomez-Paloma, L.; Evidente, A., “Tolaasins A-E, five new lipodepsipeptides produced by Pseudomonas tolaasii.”, J. Nat. Prod., 2004, 67, 811-816. https://doi.org/10.1021/np0303557
  264. Zampella, A.; Sepe, V.; D’Orsi, R.; Bifulco, G.; Bassarello, C.; D’Auria, M. V., “Stereochemical assignment of the C23-C35 portion of sphinxolide/reidispongiolide class of natural products by asymmetric synthesis.” Tetrahedron Asymm., 2003, 14, 1787-1798. https://doi.org/10.1016/S0957-4166(03)00372-0
  265. Riccio, R.; Bifulco, G.; Cimino, P.; Bassarello, C.; Gomez-Paloma, L., “Stereochemical analysis of natural products. Approaches relying on the combination of NMR spectroscopy and computational methods.”, Pure Appl. Chem., 2003, 75, 295-308. https://doi.org/10.1351/pac200375020295
  266. Plaza, A.; Bifulco, G.; Hamed, A. I.; Pizza, C.; Piacente, S., “Argeloside A and B, two novel 14,15-secopregnane glycosides from Solenostemma argel.”, Tetrahedron Lett., 2003, 44, 8553-8558. https://doi.org/10.1016/j.tetlet.2003.09.132
  267. Bifulco, G.; Gomez-Paloma, L.; Riccio, R., “Configurational analysis of the natural product passifloricin A by quantum mechanical 13C NMR GIAO chemical shift calculations.”, Tetrahedron Lett., 2003, 44, 7137-7141. https://doi.org/10.1016/S0040-4039(03)01810-0
  268. Bifulco, G.; Caserta, T.; Gomez-Paloma, L.; Piccialli, V., “Erratum: RuO4-promoted syn-oxidative polycyclization of isoprenoid polyenes: A new stereoselective cascade process (Tetrahedron Letters (2002) 43 (9265)).”, Tetrahedron Lett. 2003, 44, 3429. https://doi.org/10.1016/S0040-4039(03)00566-5
  269. Bifulco, G.; Caserta, T.; Gomez-Paloma, L.; Piccialli, V., “RuO4-promoted oxidative polycyclization of isoprenoid polyenes. A further insight into the stereochemistry of the process.”, Tetrahedron Lett.,2003, 44, 5499-5503. https://doi.org/10.1016/S0040-4039(03)01254-1
  270. Bassarello, C.; Cimino, P.; Gomez-Paloma, L.; Riccio, R.; Bifulco, G., “Simulation of 2D 1H homo- and 1H-13C heteronuclear NMR spectra of organic molecules by DFT calculations of spin-spin coupling constants and 1H and 13C-chemical shifts.”, Tetrahedron, 2003, 59, 9555-9562. https://doi.org/10.1016/j.tet.2003.10.001
  271. Bassarello, C.; Cimino, P.; Bifulco, G.; Boger, D. L.; Smith, J. A.; Chazin, W. J.; Gomez-Paloma, L., “NMR Structure of the (+)-CPI-indole/d(GACTAATTGAC)-d(GTCAATTAGTC) Covalent Complex.”, ChemBioChem, 2003, 4, 1188-1193. https://doi.org/10.1002/cbic.200300642
  272. Zampella, A.; Bassarello, C.; Bifulco, G.; Gomez-Paloma, L.; D’Auria, M. V., “Stereochemistry of sphinxolides and reidispongiolides. Asymmetric synthesis of the C17-C22 fragment of reidispongiolide A.”, Eur. J. Org. Chem., 2002, 2002, 785-790. https://doi.org/10.1002/1099-0690(200203)2002:5<785::AID-EJOC785>3.0.CO;2-N
  273. Piacente, S.; Bifulco, G.; Pizza, C.; Stochmal, A.; Oleszek, W., “A novel phenolic spiro derivative, Yuccaone A, from Yucca schidigera bark.”, Tetrahedron Lett., 2002, 43, 9133-9136. https://doi.org/10.1016/S0040-4039(02)02244-X
  274. Della Monica, C.; Randazzo, A.; Bifulco, G.; Cimino, P.; Aquino, M.; Izzo, I.; De Riccardis, F.; Gomez-Paloma, L., “Structural revision of halipeptins: Synthesis of the thiazoline unit and isolation of halipeptin C.”, Tetrahedron Lett., 2002, 43, 5707-5710. https://doi.org/10.1016/S0040-4039(02)01209-1
  275. D’Acquarica, I.; Di Giovanni, M. C.; Gasparrini, F.; Misiti, D.; D’Arrigo, C.; Fagnano, N.; Guarnieri, D.; Iacono, G.; Bifulco, G.; Riccio, R., “Isolation and structure elucidation of four new triterpenoid estersaponins from fruits of Pittosporum tobira AIT.”, Tetrahedron, 2002, 58, 10127-10136. https://doi.org/10.1016/S0040-4020(02)01364-9
  276. Cimino, P.; Bifulco, G.; Evidente, A.; Abouzeid, M.; Riccio, R.; Gomez-Paloma, L., “Extension of the J-based configuration analysis to multiple conformer equilibria: An application to sapinofuranone A.”, Org. Lett., 2002, 4, 2779-2782. https://doi.org/10.1021/ol026310z
  277. Ciasullo, L.; Casapullo, A.; Cutignano, A.; Bifulco, G.; Debitus, C.; Hooper, J.; Gomez-Paloma, L.; Riccio, R., “Renieramide, a cyclic tripeptide from the Vanuatu sponge Reniera n. sp.”, J. Nat. Prod., 2002, 65, 407-410. https://doi.org/10.1021/np010383u
  278. Bifulco, G.; Smith, J. A.; Chazin, W. J.; Gomez-Paloma, L. “Molecular basis for recognition and binding of specific DNA sequences by calicheamicin and duocarmycin.” In Advances in DNA Sequence-Specific Agents, 2002, Vol. 4, pp 47-73. https://doi.org/10.1016/S1067-568X(02)80005-6
  279. Bifulco, G.; Caserta, T.; Gomez-Paloma, L.; Piccialli, V., “RuO4-promoted syn-oxidative polycyclization of isoprenoid polyenes: A new stereoselective cascade process.”, Tetrahedron Lett., 2002, 43, 9265-9269. https://doi.org/10.1016/S0040-4039(02)02304-3
  280. Barone, G.; Gomez-Paloma, L.; Duca, D.; Silvestri, A.; Riccio, R.; Bifulco, G., “Structure validation of natural products by quantum-mechanical GIAO calculations of 13C NMR chemical shifts.”, Chem. Eur. J., 2002, 8, 3233-3239. https://doi.org/10.1002/1521-3765(20020715)8:14<3233::AID-CHEM3233>3.0.CO;2-0
  281. Barone, G.; Duca, D.; Silvestri, A.; Gomez-Paloma, L.; Riccio, R.; Bifulco, G., “Determination of the relative stereochemistry of flexible organic compounds by Ab initio methods: Conformational analysis and boltzmann-averaged GIAO 13C NMR chemical shifts.”, Chem. Eur. J., 2002, 8, 3240-3245. https://doi.org/10.1002/1521-3765(20020715)8:14<3240::AID-CHEM3240>3.0.CO;2-G
  282. Randazzo, A.; Bifulco, G.; Giannini, C.; Bucci, M.; Debitus, C.; Cirino, G.; Gomez-Paloma, L., “Halipeptins A and B: Two novel potent anti-inflammatory cyclic depsipeptides from the Vanuatu marine sponge Haliclona species.”, J. Am. Chem. Soc., 2001, 123, 10870-10876. https://doi.org/10.1021/ja010015c
  283. Cutignano, A.; Bruno, I.; Bifulco, G.; Casapullo, A.; Debitus, C.; Gomez-Paloma, L.; Riccio, R., “Dactylolide, a new cytotoxic macrolide from the vanuatu sponge Dactylospongia sp.”, Eur. J. Org. Chem., 2001, 775-778. https://doi.org/10.1002/1099-0690(200102)2001:4<775::AID-EJOC775>3.0.CO;2-Z
  284. Cimino, P.; Bifulco, G.; Casapullo, A.; Bruno, I.; Gomez-Paloma, L.; Riccio, R., “Isolation and NMR characterization of rosacelose, a novel sulfated polysaccharide from the sponge Mixylla rosacea.”, Carbohydr. Res., 2001, 334, 39-47. https://doi.org/10.1016/S0008-6215(01)00141-0
  285. Casapullo, A.; Cutignano, A.; Bruno, I.; Bifulco, G.; Debitus, C.; Gomez-Paloma, L.; Riccio, R., “Makaluvamine P, a new cytotoxic pyrroloiminoquinone from Zyzzya cf. fuliginosa.”, J. Nat. Prod., 2001, 64, 1354-1356. https://doi.org/10.1021/np010053+
  286. Caruso, M.; Maitan, M. A.; Bifulco, G.; Miele, C.; Vigliotta, G.; Oriente, F.; Formisano, P.; Beguinot, F., “Activation and mitochondrial translocation of protein kinase Cδ are necessary for insulin stimulation of pyruvate dehydrogenase complex activity in muscle and liver cells.” J. Biol. Chem., 2001, 276, 45088-45097. https://doi.org/10.1074/jbc.M105451200
  287. Bassarello, C.; Bifulco, G.; Zampella, A.; D’Auria, M. V.; Riccio, R.; Gomez-Paloma, L., “Stereochemical studies on sphinxolide: Advances in the J-based NMR determination of the relative configuration of flexible systems.”, Eur. J. Org. Chem., 2001, 2001, 39-44. https://doi.org/10.1002/1099-0690(200101)2001:1<39::AID-EJOC39>3.0.CO;2-9
  288. Bassarello, C.; Bifulco, G.; Evidente, A.; Riccio, R.; Gomez-Paloma, L., “Stereochemical studies on ascaulitoxin: A J-based NMR configurational analysis of a nitrogen substituted system.”, Tetrahedron Lett., 2001, 42, 8611-8613. https://doi.org/10.1016/S0040-4039(01)01815-9
  289. Smith, J. A.; Bifulco, G.; Case, D. A.; Boger, D. L.; Gomez-Paloma, L.; Chazin, W. J., “The structural basis for in situ activation of DNA alkylation by duocarmycin SA.”, J. Mol. Biol., 2000, 300, 1195-1204. https://doi.org/10.1006/jmbi.2000.3887
  290. Cutignano, A.; Bifulco, G.; Bruno, I.; Casapullo, A.; Gomez-Paloma, L.; Riccio, R., “Dragmacidin F: A new antiviral bromoindole alkaloid from the mediterranean sponge Halicortex sp.”, Tetrahedron, 2000, 56, 3743-3748. https://doi.org/10.1016/S0040-4020(00)00281-7
  291. Casapullo, A.; Bifulco, G.; Bruno, I.; Riccio, R., “New bisindole alkaloids of the topsentin and hamacanthin classes from the Mediterranean marine sponge Rhaphisia lacazei.”, J. Nat. Prod., 2000, 63, 447-451. https://doi.org/10.1021/np9903292
  292. Kragelund, B. B.; Jönsson, M.; Bifulco, G.; Chazin, W. J.; Nilsson, H.; Finn, B. E.; Linse, S., “Hydrophobic core substitutions in calbindin D(9k): Effects on Ca2+ binding and dissociation.”, Biochemistry, 1998, 37, 8926-8937. https://doi.org/10.1021/bi9726436
  293. Bifulco, G.; Galeone, A.; Nicolaou, K. C.; Chazin, W. J.; Gomez-Paloma, L., “Solution structure of the complex between the head-to-tail dimer of calicheamicin γ1(I) oligosaccharide and a DNA duplex containing d(ACCT) and d(TCCT) high-affinity binding sites.”, J. Am. Chem. Soc., 1998, 120, 7183-7191. https://doi.org/10.1021/ja973910y
  294. Riccio, R.; Kinnel, R. B.; Bifulco, G.; Scheuer, P. J., “Kakelokelose, a sulfated mannose polysaccharide with anti-HIV activity from the Pacific tunicate Didemnum molle.”, Tetrahedron Lett., 1996, 37, 1979-1982. https://doi.org/10.1016/0040-4039(96)00262-6
  295. Bifulco, G.; Galeone, A.; Gomez-Paloma, L.; Nicolaou, K. C.; Chazin, W. J., “Solution structure of the head-to-head dimer of calicheamicin oligosaccharide domain and d(CGTAGGATATCCTACG)2.”, J. Am. Chem. Soc., 1996, 118, 8817-8824. https://doi.org/10.1021/ja961525n
  296. Iorizzi, M.; Bifulco, G.; De Riccardis, F.; Minale, L.; Riccio, R.; Zollo, F., “Starfish saponins, part 53. A reinvestigation of the polar steroids from the starfish Oreaster reticulatus: Isolation of sixteen steroidal oligoglycosides and six polyhydroxysteroids.”, J. Nat. Prod., 1995, 58, 10-26. https://doi.org/10.1021/np50115a002
  297. Bifulco, G.; Bruno, I.; Riccio, R.; Lavayre, J.; Bourdy, G., “Further brominated bis- and tris-indole alkaloids from the deep-water new caledonian marine sponge Orina sp.”, J. Nat. Prod., 1995, 58, 1254-1260. https://doi.org/10.1021/np50122a017
  298. Bifulco, G.; Bruno, I.; Minale, L.; Riccio, R.; Debitus, C.; Bourdy, G.; Vassas, A.; Lavayre, J., “Bioactive prenylhydroquinone sulfates and a novel C31 furanoterpene alcohol sulfate from the marine sponge, Ircinia sp.”, J. Nat. Prod., 1995, 58, 1444-1449. https://doi.org/10.1021/np50123a017
  299. Bifulco, G.; Bruno, I.; Minale, L.; Riccio, R.; Calignano, A.; Debitus, C., “(±)-Gelliusines A and B, two diastereomeric brominated tris-indole alkaloids from a deep water new caledonian marine sponge (Gellius or Orina sp.).”, J. Nat. Prod., 1994, 57, 1294-1299. https://doi.org/10.1021/np50111a020
  300. Bifulco, G.; Bruno, I.; Minale, L.; Riccio, R., “Novel HIV-inhibitory halistanol Sulfates F-H from a marine sponge, Pseudoaxinissa digitata.”, J. Nat. Prod., 1994, 57, 164-167. https://doi.org/10.1021/np50103a026
  301. Bifulco, G.; Bruno, I.; Paloma, L. G.; Riccio, R., “Edwardsolides A, B And C. New sesquiterpenoid lactones from the Mediterranean octocoral Maasella Edwardsi.”, Nat. Prod. Lett., 1993, 3, 167-171. https://doi.org/10.1080/10575639308043857