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Your search keyword '"Hemant Suryavanshi"' showing total 1 results
Start Over Author "Hemant Suryavanshi" Journal daru journal of pharmaceutical sciences
1 results on '"Hemant Suryavanshi"'

1. Design, synthesis and docking study of Vortioxetine derivatives as a SARS-CoV-2 main protease inhibitor

Author

Hemant Suryavanshi, Raju D. Chaudhari, Vishakha Patil, Swapan Majumdar, Sudhan Debnath, and Goutam Biswas

Subjects
Molecular Docking Simulation, SARS-CoV-2, Humans, Protease Inhibitors, Vortioxetine, Building and Construction, Molecular Dynamics Simulation, Antiviral Agents, Coronavirus 3C Proteases, COVID-19 Drug Treatment
Abstract

Vortioxetine an anti-depressant FDA-drug recently reported showing better in vitro efficacy against SARS-CoV-2.In this study, we have synthesized ten new derivatives having alkenes, alkynes, benzyl, aryl, and mixed carbamate at the N-terminal of vortioxetine. Then the binding energy and interactions with the crucial amino acid residues in the binding pocket of main protease (MBased on the docking scores predicted by ADV and AD, most vortioxetine derivatives showed better binding efficiency towards MThis study shows that some vortioxetine derivatives can be developed into promising drugs for COVID-19 treatment.

Published
2022

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