Flavonoids in Ampelopsis grossedentata as covalent inhibitors of SARS-CoV-2 3CL^pro: Inhibition potentials, covalent binding sites and inhibitory mechanisms.

ABSTRACT: Coronavirus 3C-like protease (3CL^pro) is a crucial target for treating coronavirus diseases including COVID-19. Our preliminary screening showed that Ampelopsis grossedentata extract (AGE) displayed potent SARS-CoV-2-3CL^pro inhibitory activity, but the key constituents with SARS-CoV-2-3CL^pro inhibitory effect and their mechanisms were unrevealed. Herein, a practical strategy via integrating bioactivity-guided fractionation and purification, mass spectrometry-based peptide profiling and time-dependent biochemical assay, was applied to identify the crucial constituents in AGE and to uncover their inhibitory mechanisms. The results demonstrated that the flavonoid-rich fractions (10-17.5 min) displayed strong SARS-CoV-2-3CL^pro inhibitory activities,

SUBMITTER: Xiong Y 

PROVIDER: S-EPMC8322037 | biostudies-literature | 2021 Sep

REPOSITORIES: biostudies-literature