Abstract
Hepatitis C virus (HCV) infection is a significant world health problem for which novel therapies are in urgent demand. NS5b polymerase has emerged as an attractive target for HCV antivirals discovery. A potent class of NS5b polymerase inhibitors adopting 1,2-disubstituted benzimidazole-5-carboxylic acid scaffold has been identified. Binding mode of this class was unleashed and a holo enzyme was constructed. This enzyme was used to construct a computational workflow for virtual screening. This workflow consists of two consecutive filters: a qualitative receptor-based pharmacophore model with excellent ROC of AUC = 0.95 followed by a receptor-dependent QSAR model which correlates activity with PLP1 score (r 2 = 0.61) after applying constrained docking.
Sign-in/Register to access full text options 
Free) 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a call
