In silico and in vitro analysis of small molecules and natural compounds targeting the 3CL protease of feline infectious peritonitis virus.

ABSTRACT: The computational search of chemical libraries has been used as a powerful tool for the rapid discovery of candidate compounds. To find small molecules with anti-feline infectious peritonitis virus (FIPV) properties, we utilized a virtual screening technique to identify the active site on the viral protease for the binding of the available natural compounds. The protease 3CL (3CL^pro) plays an important role in the replication cycle of FIPV and other viruses within the family Coronaviridae. The 15 best-ranked candidate consensus compounds, based on three docking tools, were evaluated for further assays. The protease inhibitor assay on recombinant FIPV 3CL^pro was performed to screen the inhibitory effect of the candidate compounds with IC₅₀ ranging from 6.36 

SUBMITTER: Theerawatanasirikul S 

PROVIDER: S-EPMC7114316 | biostudies-literature | 2020 Feb

REPOSITORIES: biostudies-literature