Ergot Alkaloids against SARS-COV-2 Main Protease
Keywords:
Docking analysis, Ergotamine, Dydroergotamine, M-proAbstract
The present study based on the Docking approach it focused on Ergot alkaloids for instance Ergotamine, Dihydroergotamine, Ergocristine, and Dihydroergocristine, which they obtained excellent results of both Binding Energy, of about -11,29 kcal mol -1; -12,16 kcal mol -1; -12,03 kcal mol -1 and -12,2 kcal mol -1, respectively and in terms of estimation of inhibitory constants Ki (5,30 nM, 1,22 nM 1,52 nM, and 1, 14 nM, respectively. This has led to the conclusion, that they could be excellent candidates against SARS-COV-2 M protease, even though further in vitro and in vivo studies are needed to confirm this preliminary analysis.
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