Potential inhibitors of coronavirus 3-chymotrypsin-like protease (3CL^pro): an in silico screening of alkaloids and terpenoids from African medicinal plants.

ABSTRACT: The novel coronavirus disease 2019 (COVID-19) caused by SARS-COV-2 has raised myriad of global concerns. There is currently no FDA approved antiviral strategy to alleviate the disease burden. The conserved 3-chymotrypsin-like protease (3CL^pro), which controls coronavirus replication is a promising drug target for combating the coronavirus infection. This study screens some African plants derived alkaloids and terpenoids as potential inhibitors of coronavirus 3CL^pro using in silico approach. Bioactive alkaloids (62) and terpenoids (100) of plants native to Africa were docked to the 3CL^pro of the novel SARS-CoV-2. The top twenty alkaloids and terpenoids with high binding affinities to the SARS-CoV-2 3CL^pro were further docked to the 3CL

SUBMITTER: Gyebi GA 

PROVIDER: S-EPMC7256353 | biostudies-literature | 2021 Jun

REPOSITORIES: biostudies-literature