Exploring new catechin derivatives as SARS-CoV-2 M(pro) inhibitors from tea by molecular networking, surface plasma resonance, enzyme inhibition, induced fit docking, and metadynamics simulations

SARS-CoV-2 M(pro) (Mpro) is the critical cysteine protease in coronavirus viral replication. Tea polyphenols are effective M(pro) inhibitors. Therefore, we aim to isolate and synthesize more novel tea polyphenols from Zhenghedabai (ZHDB) white tea methanol-water (MW) extracts that might inhibit COVI...

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Detalles Bibliográficos
Autores principales: Yang, Zi, Wang, Wei, Qi, Yan, Yang, Yi, Chen, Chen-Hui, Liu, Jia-Zheng, Chu, Gang-Xiu, Bao, Guan-Hu
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier Ltd. 2022
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9652097/
https://www.ncbi.nlm.nih.gov/pubmed/36401970
http://dx.doi.org/10.1016/j.compbiomed.2022.106288

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