Pharmacophore-Assisted Covalent Docking Identifies a Potential Covalent Inhibitor for Drug-Resistant Genotype 3 Variants of Hepatitis C Viral NS3/4A Serine Protease

The emergence of drug-resistance-inducing mutations in Hepatitis C virus (HCV) coupled with genotypic heterogeneity has made targeting NS3/4A serine protease difficult. In this work, we investigated the mutagenic variations in the binding pocket of Genotype 3 (G3) HCV NS3/4A and evaluated ligands fo...

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Bibliographic Details

Published in:	Viruses
Main Authors:	Kanzal Iman, Muhammad Usman Mirza, Fazila Sadia, Matheus Froeyen, John F. Trant, Safee Ullah Chaudhary
Format:	Article
Language:	English
Published:	MDPI AG 2024-08-01
Subjects:	Hepatitis C virus MD simulations covalent inhibitor drug resistance pharmacophore-based virtual screening
Online Access:	https://www.mdpi.com/1999-4915/16/8/1250