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- W4381738574 abstract "Since the outbreak of SAR-CoV-2 infections in Wuhan (China), researched communication is on race to investigate the specific antiviral drug for Covid-19 treatment. 3CLpro main protease is chosen as a protein target because of its high value in preventing the SAR-CoV-2 viral replications. In this study, we hereby aim to clarify the efficiency of Penciclovir in inhibiting the mechanic of 3CLpro target of SAR-CoV-2. Using docking simulation and molecular dynamic simulation (SMD), the interaction of Penciclovir with 3CLpro target was investigated. The results show that Penciclovir strongly interacts with 3CLpro target, and the non-binding interaction plays a more important role than hydrogen bonding in the steady state of the receptor-ligand conformation." @default.
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- W4381738574 date "2023-06-23" @default.
- W4381738574 modified "2023-10-01" @default.
- W4381738574 title "Study on the interaction mechanism of penciclovir drug on 3CLpro of SAR-COV-2 by simulation methods" @default.
- W4381738574 doi "https://doi.org/10.52714/dthu.12.5.2023.1070" @default.
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