Evaluation of the potency of FDA-approved drugs on wild type and mutant SARS-CoV-2 helicase (Nsp13)

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dc.contributor.authorUğurel, Osman Mutluhan
dc.contributor.authorMutlu, Özal
dc.contributor.authorSarıyer, Emrah
dc.contributor.authorKoçer, Sinem
dc.contributor.authorUğurel, Erennur
dc.contributor.authorİnci, Tuğba Gül
dc.contributor.authorTurgut-Balık, Dilek
dc.date.accessioned2021-05-15T11:33:25Z
dc.date.available2021-05-15T11:33:25Z
dc.date.issued2020
dc.departmentMühendislik ve Doğa Bilimleri Fakültesi, Temel Bilimler Bölümüen_US
dc.descriptionAta, Oguz/0000-0003-4511-7694; SARIYER, Emrah/0000-0003-1721-0314; Kocer, Sinem/0000-0003-0517-7422
dc.description.abstractSARS-CoV-2 has caused COVID-19 outbreak with nearly 2 M infected people and over 100K death worldwide, until middle of April 2020. There is no confirmed drug for the treatment of COVID-19 yet. As the disease spread fast and threaten human life, repositioning of FDA approved drugs may provide fast options for treatment. In this aspect, structure-based drug design could be applied as a powerful approach in distinguishing the viral drug target regions from the host. Evaluation of variations in SARS-CoV-2 genome may ease finding specific drug targets in the viral genome. In this study, 3458 SARS-CoV-2 genome sequences isolated from all around the world were analyzed. Incidence of C17747T and A17858G mutations were observed to be much higher than others and they were on Nsp13, a vital enzyme of SARS-CoV-2. Effect of these mutations was evaluated on protein-drug interactions using in silico methods. The most potent drugs were found to interact with the key and neighbor residues of the active site responsible from ATP hydrolysis. As result, cangrelor, fludarabine, folic acid and polydatin were determined to be the most potent drugs which have potency to inhibit both the wild type and mutant SARS-CoV-2 helicase. Clinical data supporting these findings would be important towards overcoming COVID-19. (C) 2020 Elsevier B.V. All rights reserved.en_US
dc.identifier.doi10.1016/j.ijbiomac.2020.09.138
dc.identifier.endpage1696en_US
dc.identifier.issn0141-8130
dc.identifier.issn1879-0003
dc.identifier.pmid32980406
dc.identifier.scopus2-s2.0-85091663690
dc.identifier.scopusqualityQ1
dc.identifier.startpage1687en_US
dc.identifier.urihttps://doi.org/10.1016/j.ijbiomac.2020.09.138
dc.identifier.urihttps://hdl.handle.net/20.500.12939/153
dc.identifier.volume163en_US
dc.identifier.wosWOS:000579839600168
dc.identifier.wosqualityQ1
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.indekslendigikaynakPubMed
dc.institutionauthorUğurel, Osman Mutluhan
dc.language.isoen
dc.publisherElsevieren_US
dc.relation.ispartofInternational Journal of Biological Macromolecules
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/openAccessen_US
dc.subjectSARS-CoV-2en_US
dc.subjectHelicaseen_US
dc.subjectNsp13en_US
dc.subjectDrug Repositioningen_US
dc.subjectMutation Analysisen_US
dc.titleEvaluation of the potency of FDA-approved drugs on wild type and mutant SARS-CoV-2 helicase (Nsp13)
dc.typeArticle

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