Evaluation of Benzothiazole-Chalcone Hybrids: Apoptosis Induction, Docking Analysis, and Anticancer Potential in Gastric Cancer Cells

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dc.contributor.authorKiliccioglu, Ilker
dc.contributor.authorDulger, Gorkem
dc.contributor.authorMusatat, Ahmad Badreddin
dc.contributor.authorAtahan, Alparslan
dc.contributor.authorCaliskan, Emel
dc.contributor.authorAlpay, Merve
dc.contributor.authorZengin, Mustafa
dc.date.accessioned2025-10-11T20:48:44Z
dc.date.available2025-10-11T20:48:44Z
dc.date.issued2025
dc.departmentDüzce Üniversitesien_US
dc.description.abstractThis study investigated a series of chalcone derivatives containing benzothiazole groups (C1-7) for their antimicrobial, antioxidant, and anticancer potential against gastrointestinal cancer cell lines. The compounds showed the highest antiproliferative effect in AGS gastric cancer cells compared to HCT116 colon cancer and HepG2 hepatocellular carcinoma cells. Among the tested compounds, C3 and C4 exhibited the most potent antiproliferative effects (IC50 = 7.55 mu g/mL and 8.25 mu g/mL at 48 h, respectively), significantly outperforming Cisplatin (IC50 = 15.71 mu g/mL). Mechanistic investigations revealed that C3 and C4 induce apoptosis by upregulating caspase-3, -8, and -9, suppressing anti-apoptotic Bcl-2, and elevating pro-apoptotic Bax and p53 proteins. These compounds also impeded AGS cell migration. Antimicrobial evaluations demonstrated an effective profile against multi-drug resistant bacteria, and their effects were comparable to those of the reference antibiotic Ciprofloxacin (< 0.5 g/mL). Antifungal activity results showed that MIC values ranged from < 0.5 to 256 mg/mL. Antioxidant profiling identified C1 as the most potent antioxidant, while C3 exhibited a unique dual role as an oxidant and pro-apoptotic agent. DFT computational studies harmonized the experimental findings, with molecular docking revealing high binding affinities of C3 and C4 to apoptosis regulators Bcl-2 and survivin. ADME predictions affirmed favorable drug-likeness, with moderate solubility, optimal distribution, and synthetic feasibility. This study provides a robust framework for developing benzothiazole-chalcone hybrids as precision therapeutics, positioning C3 and C4 as promising candidates for gastric cancer therapy.en_US
dc.description.sponsorshipDuzce University Scientific Research Projects Unit (DUBAP) [2021.04.01.1227]en_US
dc.description.sponsorshipThis study was supported and financed by Duzce University Scientific Research Projects Unit (DUBAP) (Project number: 2021.04.01.1227).en_US
dc.identifier.doi10.1007/s12010-025-05360-8
dc.identifier.issn0273-2289
dc.identifier.issn1559-0291
dc.identifier.pmid40848211en_US
dc.identifier.scopus2-s2.0-105013818120en_US
dc.identifier.scopusqualityQ2en_US
dc.identifier.urihttps://doi.org/10.1007/s12010-025-05360-8
dc.identifier.urihttps://hdl.handle.net/20.500.12684/22050
dc.identifier.wosWOS:001556412500001en_US
dc.identifier.wosqualityQ2en_US
dc.indekslendigikaynakWeb of Scienceen_US
dc.indekslendigikaynakScopusen_US
dc.indekslendigikaynakPubMeden_US
dc.language.isoenen_US
dc.publisherSpringeren_US
dc.relation.ispartofApplied Biochemistryand Biotechnologyen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.snmzKA_WOS_20250911
dc.subjectBenzothiazole-Chalcone hybridsen_US
dc.subjectAGS gastric canceren_US
dc.subjectApoptosisen_US
dc.subjectDFTen_US
dc.subjectRDGen_US
dc.subjectMolecular dockingen_US
dc.subjectADMEen_US
dc.titleEvaluation of Benzothiazole-Chalcone Hybrids: Apoptosis Induction, Docking Analysis, and Anticancer Potential in Gastric Cancer Cellsen_US
dc.typeArticleen_US

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