Screening potential anti-SARS-CoV-2 phytoconstituents by molecular docking

Abstract

Natural compounds are an interesting study subject for drug researchers and developers. During the SARS-CoV-2 era, they were also potential research subjects with the support of science and technology. In silico screening research methods that reduce research time and resources are also widely used in the screening of natural compounds with potential antiviral
effects. In the present study, we report data about potential natural compounds that are effective against SARS-CoV-2 via ACE2 and Mpr binding inhibition by molecular docking method. The natural compounds with good screening results are structurally diverse. Among them, flavonoids, alkaloids and terpenoids exhibit good effects on both enzymes.