An Integrated In Silico and In Vitro Approach for the Identification of Natural Products Active against SARS-CoV-2.

ABSTRACT: Coronavirus disease 2019 (COVID-19), caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), has provoked a global health crisis due to the absence of a specific therapeutic agent. 3CL^pro (also known as the main protease or M^pro) and PL^pro are chymotrypsin-like proteases encoded by the SARS-CoV-2 genome, and play essential roles during the virus lifecycle. Therefore, they are recognized as a prospective therapeutic target in drug discovery against SARS-CoV-2 infection. Thus, this work aims to collectively present potential natural 3CL^pro and PL^pro inhibitors by in silico simulations and in vitro entry pseudotype-entry models. We screened luteolin-7-O-glucuronide (L7OG), cynarin (CY), folic acid (FA), and rosmarin

SUBMITTER: Pennisi R 

PROVIDER: S-EPMC10813393 | biostudies-literature | 2023 Dec

REPOSITORIES: biostudies-literature