Molecular Modelling Studies To Suggest Novel Scaffolds Against Sars-Cov Target Enzymes
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Date
2021
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Journal ISSN
Volume Title
Publisher
Marmara Univ
Open Access Color
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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
ORCID
Keywords
Sars-Cov-2, Covid-19, Adrp, Plpro, Nsp15, Docking, Molecular Dynamics
Turkish CoHE Thesis Center URL
Fields of Science
Citation
1
WoS Q
Scopus Q
Q4
Source
Volume
25
Issue
6
Start Page
1010
End Page
1017