Vitamin D is a New Promising Inhibitor to the Main Protease (Mpro) of COVID-19 by Molecular Docking
Journal of Pharmaceutical Research International, doi:10.9734/jpri/2021/v33i29b31603
In this study, vitamin D has shown greater efficacy of binding with M pro of COVID-19 compared to the recently recommended drugs. The docking study was simulated to streamline interaction effects of Vitamin D, Remdesivir, Chloroquine, Hydroxychloroquine, Aspirin, and Azithromycin complexes with the active site of M pro . Vitamin D is found to have the highest potential interaction in terms of total H-bond, van der Waal, torsional, and desolvation energy which were the lowest among all the selected drugs. The hydroxyl group of vitamin D and the thiol group of M pro cysteine had played a leading role in increasing Vitamin D binding and stability with the M pro pocket by contribution to the inception of three hydrogen bonds. The study recommend that vitamin D can be added to the COVID-19 treatment protocol, which may have the desired effect on viral replication inhibition and decreases mortality.
CONSENT It's not applicable.
ETHICAL APPROVAL It's not applicable.
COMPETING INTERESTS Authors have declared that no competing interests exist.
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