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Inhibitory activity of hydroxychloroquine on COVID-19 main protease: An insight from MD-simulation studies

The present work is an investigation to test hydroxychloroquine as an inhibitor for the COVID-19 main protease. Molecular docking studies revealed a high docking score and interaction energies and decent level of docking within the cavity in protease moiety. Molecular dynamics simulations also lead...

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Detalles Bibliográficos
Autores principales:	Baildya, Nabajyoti, Ghosh, Narendra Nath, Chattopadhyay, Asoke P.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Elsevier B.V. 2020
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7266611/ https://www.ncbi.nlm.nih.gov/pubmed/32834108 http://dx.doi.org/10.1016/j.molstruc.2020.128595

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