Mutation Information
Mutation Site
|
I47V |
Mutation Type
|
Amino acid level |
Gene/Protein/Region Type
|
PR |
Literature Information
PubMed PMID
|
33175558
|
Published Year
|
2020 |
Journal
|
Langmuir : the ACS journal of surfaces and colloids |
Title
|
Multiple Molecular Dynamics Simulations of the Inhibitor GRL-02031 Complex with Wild Type and Mutant HIV-1 Protease Reveal the Binding and Drug-Resistance Mechanism. |
Author
|
Wang R,Zheng Q |
Evidence
|
To elucidate the binding mechanism of HIV-1 protease with promising inhibitor GRL-02031 and further to probe the resistance mechanism associated with mutations (I47V, L76V, V82A, and N88D) to the inhibitor, we applied multiple molecular dynamics (MMD) simulations along with energy analysis by the molecular mechanics Poisson–Boltzmann surface area (MM-PBSA) and solvated interaction energy (SIE) methodology on specific HIV-1 protease with GRL-0231 complexes.
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