Assessment of activity of chalcone compounds as inhibitors of 3-chymotrypsin like protease (3CL^Pro) of SARS-CoV-2: in silico study.

ABSTRACT: The COVID-19 is still pandemic due to emerging of various variant of concern of SARS-CoV2. Hence, it is devastating the world, causing significant economic as well as social chaos. This needs great effort to search and develop effective alternatives along with vaccination. Therefore, to continue drug discovery endeavors, we used chalcone derivatives to find an effective drug candidate against SARS-CoV2. Chalcone is a common simple scaffold that exists in many diets as well as in traditional medicine. Natural as well as synthetic chalcones have shown numerous interesting biological activities and are also effective in fighting various diseases. Hence, various computational methods were applied to find out potential inhibitors of 3CL^Pro using a library of 3000 compounds of chalcon

SUBMITTER: Mathpal S 

PROVIDER: S-EPMC8818839 | biostudies-literature | 2022

REPOSITORIES: biostudies-literature