Molecular docking, validation, dynamics simulations, and pharmacokinetic prediction of natural compounds against the SARS-CoV-2 main-protease

The study aims to evaluate the potency of two hundred natural antiviral phytocompounds against the active site of the Severe Acquired Respiratory Syndrome - Coronavirus − 2 (SARS-CoV-2) Main-Protease (M(pro)) using AutoDock 4.2.6. The three- dimensional crystal structure of the M(pro) (PDB Id: 6LU7)...

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Detalhes bibliográficos
Publicado no:J Biomol Struct Dyn
Main Authors: C, Shivanika, S., Deepak Kumar, Ragunathan, Venkataraghavan, Tiwari, Pawan, A., Sumitha, P, Brindha Devi
Formato: Artigo
Idioma:Inglês
Publicado em: Taylor & Francis 2020
Assuntos:
Research Article
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC7573242/
https://ncbi.nlm.nih.gov/pubmed/32897178
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1080/07391102.2020.1815584
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