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From flamingo dance to (desirable) drug discovery: a nature-inspired approach.
Sánchez-Rodríguez A, Pérez-Castillo Y, Schürer SC, Nicolotti O, Mangiatordi GF, Borges F, Cordeiro MNDS, Tejera E, Medina-Franco JL, Cruz-Monteagudo M. Sánchez-Rodríguez A, et al. Among authors: mangiatordi gf. Drug Discov Today. 2017 Oct;22(10):1489-1502. doi: 10.1016/j.drudis.2017.05.008. Epub 2017 Jun 15. Drug Discov Today. 2017. PMID: 28624633 Free PMC article. Review.
REACH and in silico methods: an attractive opportunity for medicinal chemists.
Nicolotti O, Benfenati E, Carotti A, Gadaleta D, Gissi A, Mangiatordi GF, Novellino E. Nicolotti O, et al. Among authors: mangiatordi gf. Drug Discov Today. 2014 Nov;19(11):1757-1768. doi: 10.1016/j.drudis.2014.06.027. Epub 2014 Jul 3. Drug Discov Today. 2014. PMID: 24998783 Review.
Trimethoxybenzanilide-based P-glycoprotein modulators: an interesting case of lipophilicity tuning by intramolecular hydrogen bonding.
Tardia P, Stefanachi A, Niso M, Stolfa DA, Mangiatordi GF, Alberga D, Nicolotti O, Lattanzi G, Carotti A, Leonetti F, Perrone R, Berardi F, Azzariti A, Colabufo NA, Cellamare S. Tardia P, et al. Among authors: mangiatordi gf. J Med Chem. 2014 Aug 14;57(15):6403-18. doi: 10.1021/jm500697c. Epub 2014 Aug 5. J Med Chem. 2014. PMID: 25093931
A new gating site in human aquaporin-4: Insights from molecular dynamics simulations.
Alberga D, Nicolotti O, Lattanzi G, Nicchia GP, Frigeri A, Pisani F, Benfenati V, Mangiatordi GF. Alberga D, et al. Among authors: mangiatordi gf. Biochim Biophys Acta. 2014 Dec;1838(12):3052-60. doi: 10.1016/j.bbamem.2014.08.015. Epub 2014 Aug 19. Biochim Biophys Acta. 2014. PMID: 25150048 Free article.
A generalizable definition of chemical similarity for read-across.
Floris M, Manganaro A, Nicolotti O, Medda R, Mangiatordi GF, Benfenati E. Floris M, et al. Among authors: mangiatordi gf. J Cheminform. 2014 Oct 18;6(1):39. doi: 10.1186/s13321-014-0039-1. eCollection 2014 Dec. J Cheminform. 2014. PMID: 25383097 Free PMC article.
Harmonization of QSAR Best Practices and Molecular Docking Provides an Efficient Virtual Screening Tool for Discovering New G-Quadruplex Ligands.
Castillo-González D, Mergny JL, De Rache A, Pérez-Machado G, Cabrera-Pérez MA, Nicolotti O, Introcaso A, Mangiatordi GF, Guédin A, Bourdoncle A, Garrigues T, Pallardó F, Cordeiro MN, Paz-Y-Miño C, Tejera E, Borges F, Cruz-Monteagudo M. Castillo-González D, et al. Among authors: mangiatordi gf. J Chem Inf Model. 2015 Oct 26;55(10):2094-110. doi: 10.1021/acs.jcim.5b00415. Epub 2015 Sep 18. J Chem Inf Model. 2015. PMID: 26355653
88 results