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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

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