Identifying Natural Products as Feline Coronavirus M^pro Inhibitors by Structural-Based Virtual Screening and Enzyme-Based Assays.

ABSTRACT: The main protease (M^pro) is a pivotal target in the life cycle of feline coronavirus (FCoV), which causes a high mortality feline disease, feline infectious peritonitis (FIP). Virtual screening was performed against the feline coronavirus M^pro to find active compounds with low toxicity from a library of natural products. Eighty-six compounds were selected by using the rank of docking score and binding pose analysis. In the enzyme-based assay, 12 compounds showed a more than 40% inhibitory effect on M^pro at a concentration of 200 μmol/L. The IC₅₀ values of theaflavin 3,3'-digallate (25.0 μmol/L), sennoside C (25.2 μmol/L), pinocembrin-galloyl-HHDP-G (33.3 μmol/L), and thonningianin A (50.6 μmol/L) were determined. In addition, curcuminoids (51.7-6

SUBMITTER: Jiang Z 

PROVIDER: S-EPMC11755153 | biostudies-literature | 2025 Jan

REPOSITORIES: biostudies-literature