Autochthonous Peruvian Natural Plants as Potential SARS-CoV-2 M^pro Main Protease Inhibitors.

ABSTRACT: Over 750 million cases of COVID-19, caused by the Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2), have been reported since the onset of the global outbreak. The need for effective treatments has spurred intensive research for therapeutic agents based on pharmaceutical repositioning or natural products. In light of prior studies asserting the bioactivity of natural compounds of the autochthonous Peruvian flora, the present study focuses on the identification SARS-CoV-2 M^pro main protease dimer inhibitors. To this end, a target-based virtual screening was performed over a representative set of Peruvian flora-derived natural compounds. The best poses obtained from the ensemble molecular docking process were selected. These structures were subjected to extensive molecu

SUBMITTER: Peralta-Moreno MN 

PROVIDER: S-EPMC10146424 | biostudies-literature | 2023 Apr

REPOSITORIES: biostudies-literature