In Silico Evaluation of Some Flavonoids Honeybee Constituents as SARS-CoV-2 Main Protease (COVID-19) Inhibitors
The huge attack of coronavirus disease (COVID-19) over all the world forces the researcher around the world to study the crystal structure of the main protease Mpro (3-chymotrypsin-like cysteine enzyme) which is the essential enzyme for coronavirus. The inhibition of this enzyme active site becomes the target of all scientists of drug discovery to overcome this disease. On the bases of this view, using the molecular modeling approach to evaluate the effect of different flavonoids compounds from honeybee and propolis as SARS-CoV-2 main protease inhibition using Schrodinger Maestro v10.1.
The presented study resulted in six main compounds possess high binding energy with the receptor active site of COVID-19 main protease.
Developing this study aim to be an effective way for the honeybee constitution as an inhibitors ligand for SARS-CoV-2 main protease inhibition and be in the medicinal study of anti-COVID-19 therapeutic drugs.