Investigating Potential Inhibitory Effect of Uncaria tomentosa (Cat's Claw) against the Main Protease 3CL^pro of SARS-CoV-2 by Molecular Modeling.

ABSTRACT: COVID-19 is a disease caused by severe acute respiratory syndrome coronavirus 2. Presently, there is no effective treatment for COVID-19. As part of the worldwide efforts to find efficient therapies and preventions, it has been reported the crystalline structure of the SARS-CoV-2 main protease M^pro (also called 3CL^pro) bound to a synthetic inhibitor, which represents a major druggable target. The druggability of M^pro could be used for discovering drugs to treat COVID-19. A multilevel computational study was carried out to evaluate the potential antiviral properties of the components of the medicinal herb Uncaria tomentosa (Cat's claw), focusing on the inhibition of M^pro. The in silico approach starts with protein-ligand docking of 2

SUBMITTER: Yepes-Perez AF 

PROVIDER: S-EPMC7532411 | biostudies-literature | 2020

REPOSITORIES: biostudies-literature