Daniel B. Nichols, Raquel A. C. Leão, Amartya Basu, Maksim Chudayeu, Paula de F. de Moraes, Tanaji T. Talele, Paulo R. R. Costa and Neerja Kaushik-Basu Evaluation of Coumarin and Neoflavone Derivatives as HCV NS5B Polymerase Inhibitors Chemical Biology & Drug Design 81
Bicyclic scaffold bearing compounds related to coumestan, such as coumarin and neoflavone derivatives have been explored as hepatitis C virus (HCV) NS5B polymerase inhibitors. The most potent comarin 8a was mapped to bind thumb pocket (TP)-1 of NS5B. Molecualr docking analysis of 8a revelead clues for SAR optimization of the coumarin scaffold.
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