Revealing the binding and drug resistance mechanism of amprenavir, indinavir, ritonavir, and nelfinavir complexed with HIV-1 protease due to double mutations G48T/L89M by molecular dynamics simulations and free energy analyses
Author:
Affiliation:
1. Laboratory of Theoretical and Computational Chemistry, Institute of Theoretical Chemistry
2. International Joint Research Laboratory of Nano-Micro Architecture Chemistry
3. Jilin University
4. Changchun 130023
5. P. R. China
Abstract
MD simulations, MM-PBSA, and SIE analyses were used to investigate the drug resistance mechanisms of two mutations G48T and L89M in HIV-1 protease toward four inhibitors.
Funder
National Natural Science Foundation of China
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2020/CP/C9CP06657H
Reference69 articles.
1. Rapid turnover of plasma virions and CD4 lymphocytes in HIV-1 infection
2. HIV-Associated Neurocognitive Disorder: Pathogenesis and Therapeutic Opportunities
3. Administration of vorinostat disrupts HIV-1 latency in patients on antiretroviral therapy
4. Replication-Competent Noninduced Proviruses in the Latent Reservoir Increase Barrier to HIV-1 Cure
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