Screening of M^pro Protease (SARS-CoV-2) Covalent Inhibitors from an Anthocyanin-Rich Blueberry Extract Using an HRMS-Based Analytical Platform.

ABSTRACT:

Background

The viral main protease (M^pro) of SARS-CoV-2 has been recently proposed as a key target to inhibit virus replication in the host. Therefore, molecules that can bind the catalytic site of M^pro could be considered as potential drug candidates in the treatment of SARS-CoV-2 infections. Here we proposed the application of a state-of-the-art analytical platform which combines metabolomics and protein structure analysis to fish-out potential active compounds deriving from a natural matrix, i.e., a blueberry extract.

Methods

The experiments focus on finding MS covalent inhibitors of M^pro that contain in their structure a catechol/pyrogallol moiety capable of binding to the nucleophilic amino acids of the enzyme's catalytic site.

Result

SUBMITTER: Altomare A 

PROVIDER: S-EPMC11173886 | biostudies-literature | 2024 Jun

REPOSITORIES: biostudies-literature