Publication: Molecular modelling studies to suggest novel scaffolds against SARS-CoV-2 target enzymes
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Date
2021-12-01T00:00:00Z
Authors
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Akdemir, Atilla
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Abstract
In this study, molecular modelling study of previously synthesized compounds against SARS-CoV-2 target enzyme was performed. A subset of 156 compounds from an in-house database has been subjected to molecular modelling studies against the SARS-CoV-2 ADP-ribose phosphatase (ADRP, NSP3), Papain-like protease (PLpro), and uridine specific endoribonuclease (NSP15) enzymes. We have identified one compound that is expected to inhibit the SARS-CoV-2 ADRP enzyme and one compound that is expected to inhibit the NSP15 enzyme.
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Akdemir A., -Molecular modelling studies to suggest novel scaffolds against SARS-CoV-2 target enzymes-, Journal of research in pharmacy (online), cilt.25, sa.6, ss.1010-1017, 2021