Gepants against SARS COV-2 Main Protease

I.V. Ferrari¹ , M. Di Mario² , R. Narducci³ , P. Patrizio⁴

Section:Research Paper, Product Type: Journal-Paper
Vol.9 , Issue.6 , pp.90-93, Dec-2021

Online published on Dec 31, 2021

Copyright © I.V. Ferrari, M. Di Mario, R. Narducci, P. Patrizio . This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
 

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Abstract :
in the present in Silico work, we focused on “Gepants", used for the treatment of Migraine, as a potential target of SARS-COV-2 Main Protease, using Molecular Docking Analysis. From Autodock Vina and Autodock 4 results, we found out Zavegepant (as knownVazegepant), which has significant binding energy and excellent affinity against SARS-COV-2 Main pro. Indeed, it has shown a high Binding Energy score, of about -11.43 kcal mol -1, and an excellent estimation of Inhibitory constant Ki 4.19 nM.

Key-Words / Index Term :
AutoDock Vina, PyRx, calcitonin gene-related peptide receptor (CGRPR)

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