Virtual screening by targeting proteolytic sites of furin and TMPRSS2 to propose potential compounds obstructing the entry of SARS-CoV-2 virus into human host cells.

ABSTRACT:

Background and aim

The year 2020 begins with the outbreak of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) that cause the disease COVID-19, and continue till today. As of March 23, 2021, the outbreak has infected 124,313,054 worldwide with a total death of 2,735,707. The use of traditional medicines as an adjuvant therapy with western drugs can lower the fatality rate due to the COVID-19. Therefore, in silico molecular docking study was performed to search potential phytochemicals and drugs that can block the entry of SARS-CoV-2 into host cells by inhibiting the proteolytic cleavage activity of furin and TMPRSS2.

Experimental procedure

The protein-protein docking of the host proteases furin and TMPRSS2 was carried out with the virus spike (S) protein to

SUBMITTER: Vardhan S 

PROVIDER: S-EPMC8040387 | biostudies-literature | 2022 Jan

REPOSITORIES: biostudies-literature