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Evaluation of flavonoids as potential inhibitors of the SARS-CoV-2 main protease and spike RBD: Molecular docking, ADMET evaluation and molecular dynamics simulations

The 3CLpro main protease and the RDB spike (s) protein of SARS-CoV-2 are critical targets in the treatment of coronavirus 19 disease (COVID-19), as they are responsible for the COVID-19 replication and infection. With this in mind, Molecular docking of 26 natural compounds belonging to the flavonoid...

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Detalles Bibliográficos
Autores principales:	Hadni, Hanine, Fitri, Asmae, Benjelloun, Adil Touimi, Benzakour, Mohammed, Mcharfi, Mohammed
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Indian Chemical Society. Published by Elsevier B.V. 2022
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9428111/ http://dx.doi.org/10.1016/j.jics.2022.100697

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