Design, synthesis, characterization, in silico studies, and in vitro anticancer evaluation of novel 7-methoxyquinolone-substituted triazole hybrids

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dc.authorid0000-0002-4037-1979
dc.authorid0000-0001-6097-2862
dc.authorid0000-0002-0775-0053
dc.authorid0000-0001-8654-5359
dc.contributor.authorAllito, Lemiye
dc.contributor.authorComert Onder, Ferah
dc.contributor.authorDemirel, Ramazan
dc.contributor.authorOnder, Alper
dc.contributor.authorOzden, Ozkan
dc.contributor.authorErdogan, Musa
dc.date.accessioned2026-02-03T12:02:22Z
dc.date.available2026-02-03T12:02:22Z
dc.date.issued2025
dc.departmentÇanakkale Onsekiz Mart Üniversitesi
dc.description.abstractAimsThe quinolone scaffold is a crucial member of the heterocyclic compound family in modern medicinal chemistry, exhibiting a broad range of biological activities. Since 4-quinolones are known to interact with significant drug targets, and due to the remarkable pharmacological properties of 1,2,3-triazole compounds, a molecular hybridization approach was used to design novel 7-methoxyquinolone-substituted triazole hybrid conjugates (QN1-QN11).Materials and methodsThese hybrid compounds were evaluated to determine their anticancer activities in various breast and colon cancer cell lines, including BT20, MDA-MB-231, MCF7, and HT29. In addition, the apoptotic-like morphological changes in aggressive MDA-MB-231 cells were observed following treatment with the compounds for 48 hours. In silico studies, including molecular docking, molecular dynamics (MD) simulation, and MM/GBSA calculations, were carried out for the synthesized compounds against important cancer drug targets.ResultsThe highly cytotoxic agents QN10 and QN7 were identified with IC50 values of 4.49 +/- 0.68 mu M and 19.05 +/- 1.58 mu M in BT20 and HT29 cell lines, respectively. In addition, the morphologically changes were observed on MDA-MB-231 cells.ConclusionsThese findings show that the synthesized click products are highly cytotoxic agents in cancer cell lines and may be considered as potential candidates for enzyme inhibition.
dc.description.sponsorshipKafkas University Scientific Research Projects Coordination Unit [2023-FM-100]
dc.description.sponsorshipResearch Foundation of Kafkas University [2023-FM-100]
dc.description.sponsorshipThis research has been supported by the Kafkas University Scientific Research Projects Coordination Unit (Project Number: 2023-FM-100). The authors are grateful to the Research Foundation of Kafkas University for financial support under project [2023-FM-100].
dc.identifier.doi10.1080/17568919.2025.2533003
dc.identifier.endpage1573
dc.identifier.issn1756-8919
dc.identifier.issn1756-8927
dc.identifier.issue13
dc.identifier.pmid40667682
dc.identifier.scopus2-s2.0-105010942110
dc.identifier.scopusqualityQ2
dc.identifier.startpage1559
dc.identifier.urihttps://doi.org/10.1080/17568919.2025.2533003
dc.identifier.urihttps://hdl.handle.net/20.500.12428/34728
dc.identifier.volume17
dc.identifier.wosWOS:001529791300001
dc.identifier.wosqualityQ2
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.indekslendigikaynakPubMed
dc.language.isoen
dc.publisherTaylor & Francis Ltd
dc.relation.ispartofFuture Medicinal Chemistry
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.snmzKA_WOS_20260130
dc.subjectQuinolone
dc.subjectclick chemistry
dc.subjectanticancer
dc.subjectmolecular docking
dc.subjectMD simulation
dc.titleDesign, synthesis, characterization, in silico studies, and in vitro anticancer evaluation of novel 7-methoxyquinolone-substituted triazole hybrids
dc.typeArticle

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