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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
Samukha V., FantasmaF., 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
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
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
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
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
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
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
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
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
BewleyC.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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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.
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
Bifulco, G.; Gomez-Paloma, L.; Riccio, R., “Configurational analysis of the natural product passifloricin A by quantum mechanical 13C NMR GIAO chemical shift calculations.”, TetrahedronLett., 2003, 44, 7137-7141. https://doi.org/10.1016/S0040-4039(03)01810-0
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
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.”, TetrahedronLett.,2003, 44, 5499-5503. https://doi.org/10.1016/S0040-4039(03)01254-1
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
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
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
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
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
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
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
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
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
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
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
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+
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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