Drug Resistance Mechanism of M46I-Mutation-Induced Saquinavir Resistance in HIV-1 Protease Using Molecular Dynamics Simulation and Binding Energy Calculation

Drug-resistance-associated mutation in essential proteins of the viral life cycle is a major concern in anti-retroviral therapy. M46I, a non-active site mutation in HIV-1 protease has been clinically associated with saquinavir resistance in HIV patients. A 100 ns molecular dynamics (MD) simulation a...

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Main Authors: Nilottam Rana, Atul Kumar Singh, Mohd Shuaib, Sanjay Gupta, Mahmoud M. Habiballah, Mustfa F. Alkhanani, Shafiul Haque, Mohd Salim Reshi, Shashank Kumar
Formato: Artigo
Idioma:Inglês
Publicado em: MDPI AG 2022-03-01
Colecção:Viruses
Assuntos:
drug resistance
saquinavir
M46I mutation
HIV-1 protease
anti-retroviral therapy
Acesso em linha:https://www.mdpi.com/1999-4915/14/4/697
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