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Exploring new catechin derivatives as SARS-CoV-2 Mpro inhibitors from tea by molecular networking, surface plasma resonance, enzyme inhibition, induced fit docking, and metadynamics simulations Journal article
Yang, Zi, Wang, Wei, Qi, Yan, Yang, Yi, Chen, Chen Hui, Liu, Jia Zheng, Chu, Gang Xiu, Bao, Guan Hu. Exploring new catechin derivatives as SARS-CoV-2 Mpro inhibitors from tea by molecular networking, surface plasma resonance, enzyme inhibition, induced fit docking, and metadynamics simulations[J]. Computers in Biology and Medicine, 2022, 151.
Authors:  Yang, Zi;  Wang, Wei;  Qi, Yan;  Yang, Yi;  Chen, Chen Hui; et al.
Favorite | TC[WOS]:16 TC[Scopus]:17  IF:7.0/6.7 | Submit date：2023/01/30
Binding Pose Metadynamics  Green Tea  Induced Fit Docking  Molecular Dynamics  Sars-cov-2 Mpro  Surface Plasmon Resonance