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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Dettagli Bibliografici
Pubblicato in:Mol Divers
Autori principali: Rai, Himanshu, Barik, Atanu, Singh, Yash Pal, Suresh, Akhil, Singh, Lovejit, Singh, Gourav, Nayak, Usha Yogendra, Dubey, Vikash Kumar, Modi, Gyan
Natura: Artigo
Lingua:Inglês
Pubblicazione: Springer International Publishing 2021
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Original Article
Accesso online:https://ncbi.nlm.nih.gov/pmc/articles/PMC7882058/
https://ncbi.nlm.nih.gov/pubmed/33582935
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s11030-021-10188-5
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