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Synthesis, Biological Evaluation, and Docking Studies of N-Substituted Acetamidines as Selective Inhibitors of Inducible Nitric Oxide Synthase

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journal contribution
posted on 12.03.2009, 00:00 by Cristina Maccallini, Antonia Patruno, Neva Bešker, Jamila Isabella Alì, Alessandra Ammazzalorso, Barbara De Filippis, Sara Franceschelli, Letizia Giampietro, Mirko Pesce, Marcella Reale, Maria L. Tricca, Nazzareno Re, Mario Felaco, Rosa Amoroso
New acetamidines structurally related to N-(3-(aminomethyl)benzyl)acetamidine (1, W1400) were designed as inhibitors of inducible nitric oxide synthase (iNOS). Six compounds were found to be selective for iNOS over endothelial nitric oxide synthase (eNOS), and among them, the most active and selective compound was the N-benzylacetamidine 2. A docking study was also performed to shed light on the effects of the structural modifications on the interaction of the designed inhibitors with the NOS.