Discovery of Diverse Natural Products as Inhibitors of SARS-CoV-2 M^pro Protease through Virtual Screening.

ABSTRACT: SARS-CoV-2 is a type of coronavirus responsible for the international outbreak of respiratory illness termed COVID-19 that forced the World Health Organization to declare a pandemic infectious disease situation of international concern at the beginning of 2020. The need for a swift response against COVID-19 prompted to consider different sources to identify bioactive compounds that can be used as therapeutic agents, including available drugs and natural products. Accordingly, this work reports the results of a virtual screening process aimed at identifying antiviral natural product inhibitors of the SARS-CoV-2 M^pro viral protease. For this purpose, ca. 2000 compounds of the Selleck database of Natural Compounds were the subject of an ensemble docking process targeting the M

SUBMITTER: Rubio-Martinez J 

PROVIDER: S-EPMC9931176 | biostudies-literature | 2021 Dec

REPOSITORIES: biostudies-literature