The structural, dynamic, and thermodynamic basis of darunavir resistance of a heavily mutated HIV-1 protease using molecular dynamics simulation

The human immunodeficiency virus type 1 protease (HIV-1 PR) is an important enzyme in the life cycle of the HIV virus. It cleaves inactive pre-proteins of the virus and changes them into active proteins. Darunavir (DRV) suppresses the wild-type HIV-1 PR (WT-Pr) activity but cannot inhibit some mutan...

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Detalles Bibliográficos
Autores principales: Shabanpour, Yaser, Sajjadi, Sharareh, Behmard, Esmaeil, Abdolmaleki, Parviz, Keihan, Amir Homayoun
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Frontiers Media S.A. 2022
Materias:
Molecular Biosciences
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9420863/
https://www.ncbi.nlm.nih.gov/pubmed/36046605
http://dx.doi.org/10.3389/fmolb.2022.927373

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9420863/
https://www.ncbi.nlm.nih.gov/pubmed/36046605
http://dx.doi.org/10.3389/fmolb.2022.927373

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