Selective Inhibition of iNOS by Benzyl- and Dibenzyl Derivatives of N-(3-Aminobenzyl)acetamidine
作者:Marialuigia Fantacuzzi、Cristina Maccallini、Fabio Lannutti、Antonia Patruno、Simona Masella、Mirko Pesce、Lorenza Speranza、Alessandra Ammazzalorso、Barbara De Filippis、Letizia Giampietro、Nazzareno Re、Rosa Amoroso
DOI:10.1002/cmdc.201100125
日期:2011.7.4
of amine substitution at the 3‐aminomethyl group of known iNOS inhibitor W1400 with mono‐ or disubstituted benzylic groups was evaluated. The o‐nitro‐benzyl derivative was identified as a potent inhibitor of iNOS, with good selectivity over eNOS. Docking simulations were performed to predict the binding mode of these derivatives in the iNOS and eNOS active sites.
选择您的NOS:评估了已知iNOS抑制剂W1400具有单或二取代苄基的3-氨基甲基上胺取代的影响。所述Ô硝基苄基衍生物被鉴定为的iNOS的有效抑制剂,具有过eNOS的良好的选择性。进行对接模拟以预测这些衍生物在iNOS和eNOS活性位点的结合模式。