New chalcone derivatives as effective against SARS-CoV-2 agent

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dc.authoridPOLAT, M. Fatih/0000-0002-2838-163X
dc.authoridAnıl, Derya Aktas/0000-0003-2584-275X
dc.authoridalagoz, mehmet abdullah/0000-0001-5190-7196
dc.authoridCimen Acikgul, Funda/0000-0002-8904-1444
dc.authoridDuran, Nizami/0000-0002-2766-3491
dc.authorwosidPOLAT, M. Fatih/AAB-3029-2021
dc.authorwosidAktas Anıl, Derya/AAA-3525-2022
dc.authorwosidAnıl, Derya Aktas/GVU-7548-2022
dc.authorwosidalagoz, mehmet abdullah/W-7847-2018
dc.contributor.authorDuran, Nizami
dc.contributor.authorPolat, M. Fatih
dc.contributor.authorAktas, Derya Anil
dc.contributor.authorAlagoz, M. Abdullah
dc.contributor.authorAy, Emrah
dc.contributor.authorCimen, Funda
dc.contributor.authorTek, Erhan
dc.date.accessioned2024-08-04T20:50:42Z
dc.date.available2024-08-04T20:50:42Z
dc.date.issued2021
dc.departmentİnönü Üniversitesien_US
dc.description.abstractAims Flavonoids and related compounds, such as quercetin-based antiviral drug Gene-Eden-VIR/Novirin, inhibit the protease of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2). The alkylated chalcones isolated from Angelica keiskei inhibit SARS-CoV proteases. In this study, we aimed to compare the anti-SARS CoV-2 activities of both newly synthesized chalcone derivatives and these two drugs. Methods Determination of the potent antiviral activity of newly synthesized chalcone derivatives against SARS-CoV-2 by calculating the RT-PCR cycling threshold (C-t) values. Results Antiviral activities of the compounds varied because of being dose dependent. Compound 6, 7, 9, and 16 were highly effective against SARS-CoV-2 at the concentration of 1.60 mu g/mL. Structure-based virtual screening was carried out against the most important druggable SARS-CoV-2 targets, viral RNA-dependent RNA polymerase, to identify putative inhibitors that could facilitate the development of potential anti-coronavirus disease-2019 drug candidates. Conclusions Computational analyses identified eight compounds inhibiting each target, with binding affinity scores ranging from -4.370 to -2.748 kcal/mol along with their toxicological, ADME, and drug-like properties.en_US
dc.identifier.doi10.1111/ijcp.14846
dc.identifier.issn1368-5031
dc.identifier.issn1742-1241
dc.identifier.issue12en_US
dc.identifier.pmid34519118en_US
dc.identifier.scopus2-s2.0-85115626984en_US
dc.identifier.scopusqualityQ2en_US
dc.identifier.urihttps://doi.org/10.1111/ijcp.14846
dc.identifier.urihttps://hdl.handle.net/11616/100216
dc.identifier.volume75en_US
dc.identifier.wosWOS:000698956100001en_US
dc.identifier.wosqualityQ2en_US
dc.indekslendigikaynakWeb of Scienceen_US
dc.indekslendigikaynakScopusen_US
dc.indekslendigikaynakPubMeden_US
dc.language.isoenen_US
dc.publisherWiley-Hindawien_US
dc.relation.ispartofInternational Journal of Clinical Practiceen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/openAccessen_US
dc.subjectBiological Evaluationen_US
dc.subjectPotential Treatmenten_US
dc.subjectFlavonoidsen_US
dc.subjectDockingen_US
dc.subjectDesignen_US
dc.subjectL.en_US
dc.titleNew chalcone derivatives as effective against SARS-CoV-2 agenten_US
dc.typeArticleen_US

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