Computational approach towards the design of artemisinin-thymoquinone hybrids against main protease of SARS-COV-2.

ABSTRACT:

Background

The sanitary emergency installed in the world, generated by the pandemic of COVID-19, instigates the search for scientific strategies to mitigate the damage caused by the disease to different sectors of society. The disease caused by the coronavirus, SARS-CoV-2, reached 216 countries/territories, where about 199 million people were reported with the infection. Of these, more than 4 million died. In this sense, strategies involving the development of new antiviral molecules are extremely important. The main protease (Mpro) from SARS-CoV-2 is an important target, which has been widely studied for antiviral treatment. This work aims to perform a screening of pharmacodynamics and pharmacokinetics of synthetic hybrids from thymoquinone and artemisin (THY-ART) against COVID-19

SUBMITTER: de Oliveira VM 

PROVIDER: S-EPMC8419828 | biostudies-literature | 2021

REPOSITORIES: biostudies-literature