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Targeting the anti-apoptotic Bcl-2 family proteins: machine learning virtual screening and biological evaluation of new small molecules.
Valentini E, D'Aguanno S, Di Martile M, Montesano C, Ferraresi V, Patsilinakos A, Sabatino M, Antonini L, Chiacchiarini M, Valente S, Mai A, Colotti G, Ragno R, Trisciuoglio D, Del Bufalo D. Valentini E, et al. Among authors: mai a. Theranostics. 2022 Feb 28;12(5):2427-2444. doi: 10.7150/thno.64233. eCollection 2022. Theranostics. 2022. PMID: 35265218 Free PMC article.
Structure-based design, synthesis, and biological evaluation of conformationally restricted novel 2-alkylthio-6-[1-(2,6-difluorophenyl)alkyl]-3,4-dihydro-5-alkylpyrimidin-4(3H)-ones as non-nucleoside inhibitors of HIV-1 reverse transcriptase.
Mai A, Sbardella G, Artico M, Ragno R, Massa S, Novellino E, Greco G, Lavecchia A, Musiu C, La Colla M, Murgioni C, La Colla P, Loddo R. Mai A, et al. J Med Chem. 2001 Aug 2;44(16):2544-54. doi: 10.1021/jm010853h. J Med Chem. 2001. PMID: 11472208
5-Alkyl-2-(alkylthio)-6-(2,6-difluorobenzyl)-3,4-dihydropyrimidin-4(3H)-ones (S-DABOs, 2) have been recently described as a new class of human immunodeficiency virus type 1 (HIV-1) non-nucleoside reverse transcriptase (RT) inhibitors (NNRTIs) active at nanomolar concentrat …
5-Alkyl-2-(alkylthio)-6-(2,6-difluorobenzyl)-3,4-dihydropyrimidin-4(3H)-ones (S-DABOs, 2) have been recently described as a new class …
3-(4-Aroyl-1-methyl-1H-2-pyrrolyl)-N-hydroxy-2-alkylamides as a new class of synthetic histone deacetylase inhibitors. 1. Design, synthesis, biological evaluation, and binding mode studies performed through three different docking procedures.
Mai A, Massa S, Ragno R, Cerbara I, Jesacher F, Loidl P, Brosch G. Mai A, et al. J Med Chem. 2003 Feb 13;46(4):512-24. doi: 10.1021/jm021070e. J Med Chem. 2003. PMID: 12570373
Recently we reported a novel series of hydroxamates, called 3-(4-aroyl-1H-2-pyrrolyl)-N-hydroxy-2-propenamides (APHAs), acting as HDAC inhibitors (Massa, S.; et al. ...Such enhancement of inhibitory activity can be explained by the higher flexibility of the pyrrole C4-subs …
Recently we reported a novel series of hydroxamates, called 3-(4-aroyl-1H-2-pyrrolyl)-N-hydroxy-2-propenamides (APHAs), acting as HDA …
Computer-aided design, synthesis, and anti-HIV-1 activity in vitro of 2-alkylamino-6-[1-(2,6-difluorophenyl)alkyl]-3,4-dihydro-5-alkylpyrimidin-4(3H)-ones as novel potent non-nucleoside reverse transcriptase inhibitors, also active against the Y181C variant.
Ragno R, Mai A, Sbardella G, Artico M, Massa S, Musiu C, Mura M, Marturana F, Cadeddu A, La Colla P. Ragno R, et al. Among authors: mai a. J Med Chem. 2004 Feb 12;47(4):928-34. doi: 10.1021/jm0309856. J Med Chem. 2004. PMID: 14761194
More recently, we reported the synthesis and molecular modeling studies of a novel conformationally constrained subtype of the S-DABO series characterized by the presence of substituents on the methylene linkage connecting the pyrimidine ring to the aryl moiety (Mai …
More recently, we reported the synthesis and molecular modeling studies of a novel conformationally constrained subtype of the S-DABO …
3-(4-Aroyl-1-methyl-1H-2-pyrrolyl)-N-hydroxy-2-propenamides as a new class of synthetic histone deacetylase inhibitors. 2. Effect of pyrrole-C2 and/or -C4 substitutions on biological activity.
Mai A, Massa S, Cerbara I, Valente S, Ragno R, Bottoni P, Scatena R, Loidl P, Brosch G. Mai A, et al. J Med Chem. 2004 Feb 26;47(5):1098-109. doi: 10.1021/jm030990+. J Med Chem. 2004. PMID: 14971890
Previous SAR studies (Part 1: Mai, A.; et al. J. Med. Chem. 2003, 46, 512-524) performed on some portions (pyrrole-C4, pyrrole-N1, and hydroxamate group) of 3-(4-benzoyl-1-methyl-1H-pyrrol-2-yl)-N-hydroxy-2-propenamide (1a) highlighted its 4-phenylacetyl (1b) and 4- …
Previous SAR studies (Part 1: Mai, A.; et al. J. Med. Chem. 2003, 46, 512-524) performed on some portions (pyrrole-C4, pyrrole …
588 results