Insight into the drug resistance mechanisms of GS-9669 caused by mutations of HCV NS5B polymerase via molecular simulation

Insight into the drug resistance mechanisms of GS-9669 caused by mutations of HCV NS5B polymerase via molecular simulation

GS-9669 is a non-nucleos(t)ide inhibitor (NNI) binding to the thumb site II of the Hepatitis C virus (HCV) NS5B polymerase and has advanced into phase II trials. To clarify the drug resistance mechanisms of GS-9669 caused by M423T/I/V, L419M, R422K, and I482L mutations of NS5B polymerase (GT1b) and...

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Bibliographic Details
Main Authors: Di Han, Huiqun Wang, Baerlike Wujieti, Beibei Zhang, Wei Cui, Bo-Zhen Chen
Format: Article
Language:English
Published: Elsevier 2021-01-01
Series:Computational and Structural Biotechnology Journal
Subjects:
HCV NS5B polymerase
Mutation-induced drug resistance
GS-9669
Molecular dynamics (MD) simulation
Adaptive steered molecular dynamics (ASMD)
Online Access:http://www.sciencedirect.com/science/article/pii/S2001037021001380

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http://www.sciencedirect.com/science/article/pii/S2001037021001380

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