Molecular Modelling Studies To Suggest Novel Scaffolds Against Sars-Cov Target Enzymes

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Date

2021

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Marmara Univ

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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.

Description

Sahin, Ahmet Fatih/0000-0001-7802-8730

Keywords

Sars-Cov-2, Covid-19, Adrp, Plpro, Nsp15, Docking, Molecular Dynamics

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1

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Scopus Q

Q4

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Volume

25

Issue

6

Start Page

1010

End Page

1017