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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: nicolotti o. 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 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: nicolotti o. 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: nicolotti o. 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
165 results