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Exploring Toxins for Hunting SARS-CoV-2 Main Protease Inhibitors: Molecular Docking, Molecular Dynamics, Pharmacokinetic Properties, and Reactome Study

The main protease (M(pro)) is a potential druggable target in SARS-CoV-2 replication. Herein, an in silico study was conducted to mine for M(pro) inhibitors from toxin sources. A toxin and toxin-target database (T3DB) was virtually screened for inhibitor activity towards the M(pro) enzyme utilizing...

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Detalles Bibliográficos
Autores principales:	Ibrahim, Mahmoud A. A., Abdelrahman, Alaa H. M., Jaragh-Alhadad, Laila A., Atia, Mohamed A. M., Alzahrani, Othman R., Ahmed, Muhammad Naeem, Moustafa, Moustafa Sherief, Soliman, Mahmoud E. S., Shawky, Ahmed M., Paré, Paul W., Hegazy, Mohamed-Elamir F., Sidhom, Peter A.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2022
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8875976/ https://www.ncbi.nlm.nih.gov/pubmed/35215266 http://dx.doi.org/10.3390/ph15020153

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