2021
DOI: 10.33774/chemrxiv-2021-4bkvh
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Computational investigation on natural quinazoline alkaloids as potential inhibitors of the main protease (Mpro) of SARS_CoV_2

Abstract: Drug discovery is still behind in the race compared to vaccine discovery in fighting COVID-19. Recently, a few alkaloids from a traditional Indian medicinal plant, Vasaka (Justicia adhatoda), have been linked computationally to the main protease (M pro ) of SARS_CoV_2. To expand the knowledge and for further investigation, we have selected 41 quinazoline alkaloids from two natural product databases to create an adequate library and performed detailed computational studies against the main protease (M pro ) of … Show more

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