Publication:
Synthesis, structural characterization and anticancer activity of 3(3,5-dinitrobenzoyl)-1H-imidazolidine-2-thione

dc.contributor.authorGenç, Murat
dc.contributor.authorKeskin, Özlem
dc.contributor.authorKumbıçak, Zübeyde
dc.contributor.buuauthorVatan, Özgür
dc.contributor.buuauthorÇAVAŞ, TOLGA
dc.contributor.buuauthorVATAN, ÖZGÜR
dc.contributor.buuauthorHüriyet, Huzeyfe
dc.contributor.buuauthorÇavaş, Tolga
dc.contributor.departmentFen Edebiyat Fakültesi
dc.contributor.departmentBiyoloji Ana Bilim Dalı
dc.contributor.researcheridCVI-9578-2022
dc.contributor.researcheridAAH-3508-2021
dc.contributor.researcheridISV-0209-2023
dc.date.accessioned2024-11-28T12:40:02Z
dc.date.available2024-11-28T12:40:02Z
dc.date.issued2022-02-01
dc.description.abstractThe present study describes the synthesis, characterization and in vitro anticancer potential evaluation of a novel 3-(3,5-dinitrobenzoyl)-1H-imidazolidine-2-thione compound. In the first step, structure analysis of the compound has been elucidated by NMR and FT-IR techniques. Theoretical NMR, FT-IR spectra, HOMO and LUMO orbital energies and MEP analyses have been used to determine the activity of the molecule by Gaussian 09 package program using DFT techniques. Furthermore, docking calculations have been performed for the BRCA2 (PDB Code: 3EU7) active side to foresee the possible mechanism of action of the synthesized compound. In the second step of the study, the synthesized compound has been screened for its potential in vitro anticancer activity against MCF-7 human breast cancer cell line using the cell proliferation (XTT), apoptosis, cell cycle arrest and intracellular ROS production assays. The results of XTT test revealed significant dereases in MCF-7 cell viability with the 24h IC50 value of 7.57 mu M. It has been also observed that treatment with the IC50 concentration of the compound can significantly induce apoptosis, intracellular ROS production and G2/M phase arrest in MCF-7 cells.
dc.identifier.endpage209
dc.identifier.issn0019-5103
dc.identifier.issue2
dc.identifier.startpage201
dc.identifier.urihttps://hdl.handle.net/11452/48660
dc.identifier.volume61
dc.identifier.wos000815052400010
dc.indexed.wosWOS.SCI
dc.indexed.wosWOS.IC
dc.language.isoen
dc.publisherNatl Inst Science Communication & Policy Research-niscpr
dc.relation.journalIndian Journal Of Chemistry
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.subjectAnalogs synthesis
dc.subjectBrca2
dc.subjectDocking
dc.subjectInteracts
dc.subjectBinding
dc.subjectImidazole
dc.subjectBrca2
dc.subjectAutodockvina
dc.subjectCytotoxicity
dc.subjectAnticancer
dc.subjectMcf-7
dc.subjectScience & technology
dc.subjectPhysical sciences
dc.subjectChemistry, organic
dc.subjectChemistry
dc.titleSynthesis, structural characterization and anticancer activity of 3(3,5-dinitrobenzoyl)-1H-imidazolidine-2-thione
dc.typeArticle
dspace.entity.typePublication
local.contributor.departmentFen Edebiyat Fakültesi/Biyoloji Ana Bilim Dalı
relation.isAuthorOfPublication1de6fd1a-3db1-46bc-9a57-31cc24b984ad
relation.isAuthorOfPublicatione2d73980-fde0-4719-a06f-304443cac871
relation.isAuthorOfPublication.latestForDiscovery1de6fd1a-3db1-46bc-9a57-31cc24b984ad

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