Computational assessment of select antiviral phytochemicals as potential SARS-Cov-2 main protease inhibitors: molecular dynamics guided ensemble docking and extended molecular dynamics

Covid-19 caused by novel coronavirus, 2019-nCoV or SARS-CoV-2 has become most severe pandemic of this century. No specific therapies are available to treat Covid-19 so far. Recently, main protease (M(pro)), a potential drug target from SARS-CoV-2 has been successfully crystallised. The present study...

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Detalles Bibliográficos
Autores principales: Sawant, Sanjay, Patil, Rajesh, Khawate, Manoj, Zambre, Vishal, Shilimkar, Vaibhav, Jagtap, Suresh
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer Berlin Heidelberg 2021
Materias:
Original Research
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8288410/
https://www.ncbi.nlm.nih.gov/pubmed/34306960
http://dx.doi.org/10.1007/s40203-021-00107-9

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8288410/
https://www.ncbi.nlm.nih.gov/pubmed/34306960
http://dx.doi.org/10.1007/s40203-021-00107-9

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