The efficacy of Paxlovid against COVID-19 is the result of the tight molecular docking between M^pro and antiviral drugs (nirmatrelvir and ritonavir).

ABSTRACT:

Purpose

Currently, a number of medications for coronavirus disease 2019 (COVID-19) treatment are tested in clinical trials; however, credible clinical studies are becoming increasingly difficult to come by. Paxlovid is a ritonavir-boosted nirmatrelvir drug that the U.S. Food and Drug Administration (FDA) authorized for the treatment of COVID-19. This study aimed to demonstrate the interaction of nirmatrelvir and ritonavir on the active site of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) main protease (M^pro).

Materials and methods

To locate the optimal docking between M^pro and antiviral drugs, and to conduct dynamic simulations between atoms in the fusion areas, various bioinformatics and mathematical equations were applied.

Results</

SUBMITTER: Dawood AA 

PROVIDER: S-EPMC9626444 | biostudies-literature | 2023 Mar

REPOSITORIES: biostudies-literature