Can natural products stop the SARS-CoV-2 virus? A docking and molecular dynamics study of a natural product database

Background: The SARS-CoV-2 3CLpro is one of the primary targets for designing new and repurposing known drugs. Methodology: A virtual screening of molecules from the Natural Product Atlas was performed, followed by molecular dynamics simulations of the most potent inhibitor bound to two conformation...

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Detalles Bibliográficos
Autores principales: Novak, Jurica, Rimac, Hrvoje, Kandagalla, Shivananda, Grishina, Maria A, Potemkin, Vladimir A
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Newlands Press Ltd 2021
Materias:
Research Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7798421/
https://www.ncbi.nlm.nih.gov/pubmed/33415989
http://dx.doi.org/10.4155/fmc-2020-0248

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7798421/
https://www.ncbi.nlm.nih.gov/pubmed/33415989
http://dx.doi.org/10.4155/fmc-2020-0248

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