ComputOrgChem Unisa

Papers

  1. 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
  2. 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
  3. 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
  4. 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
  5. 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
  6. 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
  7. 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
  8. 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
  9. 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
  10. 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
  11. 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
  12. 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
  13. 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
  14. 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
  15. 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
  16. 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
  17. 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
  18. 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
  19. 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
  20. 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
  21. 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
  22. 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
  23. 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
  24. 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
  25. 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
  26. 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
  27. 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
  28. 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
  29. 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
  30. 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
  31. 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
  32. 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
  33. 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
  34. 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
  35. 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
  36. 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
  37. 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
  38. 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
  39. 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
  40. 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
  41. 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
  42. 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
  43. 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
  44. 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
  45. 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
  46. 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
  47. 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
  48. 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
  49. 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
  50. 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
  51. 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
  52. 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
  53. 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
  54. 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
  55. 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
  56. 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
  57. 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
  58. 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
  59. 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
  60. 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
  61. 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
  62. 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
  63. 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
  64. 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
  65. 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
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  139. 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
  140. 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
  141. 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
  142. 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
  143. 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
  144. 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
  145. 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
  146. 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
  147. 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
  148. 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
  149. 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
  150. 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
  151. 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
  152. 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
  153. 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
  154. 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
  155. 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
  156. 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
  157. 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
  158. 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
  159. 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
  160. 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.
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  162. 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
  163. 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
  164. 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
  165. 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
  166. 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
  167. 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
  168. Caserta, T.; Piccialli, V.; Gomez-Paloma, L.; Bifulco, G., RuO 4-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
  169. 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
  170. 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
  171. 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
  172. 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
  173. 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
  174. 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
  175. 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
  176. 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
  177. 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
  178. 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
  179. 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 Asymmetry 2003, 14, 1787-1798. https://doi.org/10.1016/S0957-4166(03)00372-0
  180. 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
  181. 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
  182. 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
  183. 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
  184. 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
  185. 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
  186. 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
  187. 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
  188. 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
  189. 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
  190. 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
  191. 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
  192. 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
  193. 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
  194. 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
  195. 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
  196. 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
  197. 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
  198. 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
  199. 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
  200. 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+
  201. 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
  202. 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
  203. 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
  204. 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
  205. 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
  206. 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
  207. 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
  208. 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
  209. 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
  210. 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
  211. 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
  212. 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
  213. 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
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