Chetomin, a SARS-CoV-2 3C-like Protease (3CL<sup>pro</sup>) Inhibitor: <i>In Silico</i> Screening, Enzyme Docking, Molecular Dynamics and Pharmacokinetics Analysis

Chetomin, a SARS-CoV-2 3C-like Protease (3CL<sup>pro</sup>) Inhibitor: <i>In Silico</i> Screening, Enzyme Docking, Molecular Dynamics and Pharmacokinetics Analysis

The emergence of the Coronavirus Disease 2019 (COVID-19) pandemic caused by severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2) has led to over 6 million deaths. The 3C-like protease (3CL<sup>pro</sup>) enzyme of the SARS-CoV-2 virus is an attractive druggable target for explori...

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Bibliographic Details
Main Authors: Mahmoud A. A. Ibrahim, Alaa H. M. Abdelrahman, Dina E. M. Mohamed, Khlood A. A. Abdeljawaad, Mohamed Ahmed Naeem, Gamal A. Gabr, Ahmed M. Shawky, Mahmoud E. S. Soliman, Peter A. Sidhom, Paul W. Paré, Mohamed-Elamir F. Hegazy
Format: Article
Language:English
Published: MDPI AG 2023-01-01
Series:Viruses
Subjects:
marine natural products (MNPs)
SARS-CoV-2 3CL<sup>pro</sup>
docking computations
MD simulation
ADMET study
Online Access:https://www.mdpi.com/1999-4915/15/1/250

Internet

https://www.mdpi.com/1999-4915/15/1/250

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