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...

Descripción completa

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

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8875976/
https://www.ncbi.nlm.nih.gov/pubmed/35215266
http://dx.doi.org/10.3390/ph15020153

Ejemplares similares