Understanding the drug resistance mechanism of hepatitis C virus NS5B to PF-00868554 due to mutations of the 423 site: a computational study

NS5B, a hepatitis C virus (HCV) RNA-dependent RNA polymerase (RdRp) that plays a key role in viral replication, is an important target in the discovery of antiviral agents. PF-00868554 is a potent non-nucleoside inhibitor (NNI) that binds to the Thumb II allosteric pocket of NS5B polymerase and has...

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Veröffentlicht in:	Molecular bioSystems 2014-01, Vol.1 (4), p.767-777
Hauptverfasser:	Jiao, Pingzu, Xue, Weiwei, Shen, Yulin, Jin, Nengzhi, Liu, Huanxiang
Format:	Artikel
Sprache:	eng
Schlagworte:	Amino Acid Substitution Antiviral Agents - pharmacology Binding Sites - drug effects Binding Sites - genetics Crystallography, X-Ray Drug Resistance, Viral - physiology Hepacivirus - drug effects Hepacivirus - genetics Hepatitis C virus Molecular Dynamics Simulation Mutation Pyrones - pharmacology RNA-Dependent RNA Polymerase - antagonists & inhibitors RNA-Dependent RNA Polymerase - genetics Triazoles - pharmacology Viral Nonstructural Proteins - antagonists & inhibitors Viral Nonstructural Proteins - genetics Viral Nonstructural Proteins - ultrastructure Virus Replication - genetics
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