Molecular docking, binding mode analysis, molecular dynamics, and prediction of ADMET/toxicity properties of selective potential antiviral agents against SARS-CoV-2 main protease: an effort toward drug repurposing to combat COVID-19

The importance of the main protease (M(pro)) enzyme of SARS-CoV-2 in the digestion of viral polyproteins introduces M(pro) as an attractive drug target for antiviral drug design. This study aims to carry out the molecular docking, molecular dynamics studies, and prediction of ADMET properties of sel...

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Detalles Bibliográficos
Autores principales: Rai, Himanshu, Barik, Atanu, Singh, Yash Pal, Suresh, Akhil, Singh, Lovejit, Singh, Gourav, Nayak, Usha Yogendra, Dubey, Vikash Kumar, Modi, Gyan
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2021
Materias:
Original Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7882058/
https://www.ncbi.nlm.nih.gov/pubmed/33582935
http://dx.doi.org/10.1007/s11030-021-10188-5

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7882058/
https://www.ncbi.nlm.nih.gov/pubmed/33582935
http://dx.doi.org/10.1007/s11030-021-10188-5

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