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Molecular modelling studies to suggest novel scaffolds against SARS-CoV-2 target enzymes

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dc.contributor.authorAkdemir, Atilla
dc.contributor.institutionauthorAKDEMİR, ATİLLA
dc.date.accessioned2021-12-02T20:59:15Z
dc.date.available2021-12-02T20:59:15Z
dc.date.issued2021-12-01T00:00:00Z
dc.description.abstractIn 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.
dc.identifier.citationAkdemir 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
dc.identifier.doi10.29228/jrp.96
dc.identifier.urihttp://hdl.handle.net/20.500.12645/29684
dc.titleMolecular modelling studies to suggest novel scaffolds against SARS-CoV-2 target enzymes
dc.typeArticle
dspace.entity.typePublication
local.avesis.ide90bd610-0afc-4f0c-af8f-67f6cdd17c10
local.publication.goal03 - Sağlık ve Kaliteli Yaşam
local.publication.isinternational0
relation.isAuthorOfPublication19bc513a-c695-4e72-ba1d-83b8d6c574c8
relation.isAuthorOfPublication.latestForDiscovery19bc513a-c695-4e72-ba1d-83b8d6c574c8
relation.isGoalOfPublication9c198c48-b603-4e2f-8366-04edcfc1224c
relation.isGoalOfPublication.latestForDiscovery9c198c48-b603-4e2f-8366-04edcfc1224c

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