Molecular dynamics simulation of docking structures of SARS-CoV-2 main protease and HIV protease inhibitors

In this paper we investigate 10 different HIV protease inhibitors (HPIs) as possible repurposed-drugs candidates against SARS-CoV-2. To this end, we execute molecular docking and molecular dynamics simulations. The in silico data demonstrated that, despite their molecular differences, all HPIs prese...

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Detalles Bibliográficos
Autores principales: Cardoso, Wesley B., Mendanha, Sebastião A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier B.V. 2021
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7443253/
https://www.ncbi.nlm.nih.gov/pubmed/32863430
http://dx.doi.org/10.1016/j.molstruc.2020.129143

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7443253/
https://www.ncbi.nlm.nih.gov/pubmed/32863430
http://dx.doi.org/10.1016/j.molstruc.2020.129143

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