Inhibitory effect of compounds extracted from Monochoria hastata (L.) Solms on SARS-CoV-2 main protease: An insight from molecular docking and MD-simulation studies

Using molecular docking and other studies, 20 compounds extracted from Monochoria hastata (L.) Solms were screened, and their inhibitory efficiency examined against main protease (3CLpro) of SARS CoV-2. All the compounds were found to binding with 3CLpro through van der Waals and electrostatic force...

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Detalles Bibliográficos
Autores principales: Baildya, Nabajyoti, Ghosh, Narendra Nath, Chattopadhyay, Asoke P., Mandal, Vivekananda, Majumdar, Sourav, Ansary, Delwar, Sarkar, Md Muttakin
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier B.V. 2022
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8846558/
https://www.ncbi.nlm.nih.gov/pubmed/35185220
http://dx.doi.org/10.1016/j.molstruc.2022.132644

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8846558/
https://www.ncbi.nlm.nih.gov/pubmed/35185220
http://dx.doi.org/10.1016/j.molstruc.2022.132644

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