Computational investigation of drug bank compounds against 3C-like protease (3CL(pro)) of SARS-CoV-2 using deep learning and molecular dynamics simulation

Blocking the main replicating enzyme, 3 Chymotrypsin-like protease (3CL(pro)) is the most promising drug development strategy against the SARS-CoV-2 virus, responsible for the current COVID-19 pandemic. In the present work, 9101 drugs obtained from the drug bank database were screened against SARS-C...

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Detalles Bibliográficos
Autores principales: Joshi, Tushar, Sharma, Priyanka, Mathpal, Shalini, Joshi, Tanuja, Maiti, Priyanka, Nand, Mahesha, Pande, Veena, Chandra, Subhash
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/PMC8506074/
https://www.ncbi.nlm.nih.gov/pubmed/34637068
http://dx.doi.org/10.1007/s11030-021-10330-3

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8506074/
https://www.ncbi.nlm.nih.gov/pubmed/34637068
http://dx.doi.org/10.1007/s11030-021-10330-3

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