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    4-Methylsulfonylbenzyl Substituted N-Heterocyclic Carbene-Ruthenium (II) Complexes: Design, Synthesis, Characterization, and Anticancer Activities
    (Wiley-V C H Verlag Gmbh, 2026) Pasahan, Aziz; Taskin, Irmak Icen; Gurses, Canbolat; Sever, Meryem Ruveyda; Karabiyik, Hande; Karabiyik, Hasan; Gok, Yetkin
    In this study, we report the synthesis and anticancer activities of new ruthenium complexes with N-heterocyclic carbene (NHC) ligands, which are of great significance for drug delivery research. For this reason, 4-methylsulfonylbenzyl-substituted benzimidazole-functionalized Ru(II)NHC complexes were synthesized in our research. The characterization of these new complexes were performed using appropriate spectroscopic methods (1H NMR, 13C NMR, and FT-IR) and elemental analysis techniques. The crystal structure of complex 1c was obtained using single crystal X-ray diffraction. MTT method was used to understand in vitro anticancer activities of the complexes against MCF-7 (breast cancer), HCT-116 (colon cancer), SH-SY5Y (brain cancer), and HeLa (cervical cancer) cell lines. Based on the IC50 values determined by MTT assay, the most effective complex was identified as 1 h. DNA binding analyses were carried out using agarose gel electrophoresis, revealing that 1 h weakly interacted with DNA. Additionally, the effects of 1 h on cell cycle progression and apoptosis in the SH-SY5Y cell line were examined using flow cytometry. The results indicated that 1 h induced G0/G1 phase accumulation and increased apoptotic cell death. These findings suggest that the synthesized complex 1 h has a significant anticancer potential.
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    Design, Synthesis, Characterization, and Antitumor Activities of Benzimidazole-functionalized Organoruthenium Complexes Bearing Fluorine Group
    (Bentham Science Publ Ltd, 2025) Pasahan, Ramazan; Demirci, Ozlem; Taskin, Irmak Icen; Pasahan, Aziz; Sever, Meryem Ruveyda; Gok, Yetkin; Aktas, Aydin
    Background This work presents the synthesis of Ru(II)NHC complexes bearing a series of 4-fluorobenzyl group. These complexes have been characterized by a variety of spectroscopic methods (1H NMR, 13C NMR, and FTIR) and by elemental analysis techniques.Methods These complexes' antitumor activities against SH-SY5Y (human neuroblastoma) and HCT116 (human colon cancer) were investigated by 3-(4,5-dimethylthiazole-2-yl)-2,5-biphenyl tetrazolium bromide (MTT) assay.Results The results showed that all the synthesized complexes exhibited significant cytotoxic effect with low IC50 values 15 +/- 0.57, 15.26 +/- 0.71, 7.64 +/- 0.30, 27.66 +/- 0.36 and 14.45 +/- 0.84 (mu g/mL) respectively.Conclusion Furthermore, apoptosis assessed by double labeling with Annexin V-FITC/PI indicated that complexes 1b and 1d can effectively induce apoptosis and inhibit cell proliferation at the S phase in SH-SY5Y cells. Taken together, Ru(II)NHC complexes containing the 4-fluorobenzyl group have significant potential for the development of novel, highly effective anticancer agents.
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    Novel ruthenium(II)oxothiazolidine complexes: Design, synthesis, characterization, DNA binding and anticancer activity
    (Elsevier, 2026) Aktas, Aydin; Taskin, Irmak Icen; Sevincek, Resul; Haroon, Muhammad; Derin, Dilek Cam; Taskin-Tok, Tugba; Sever, Meryem Ruveyda
    Cancer remains one of the leading causes of death worldwide, making the search for effective anticancer agents a critical area of research. In recent years, ruthenium-based compounds have gained significant attention due to their potential as novel candidates for cancer treatment. This report aims to explore the synthesis and anticancer properties of the Ru(II)oxothiazolidine complexes. All complexes have been prepared from ligands containing hydrazinyl-oxothiazolidine moiety and [RuCl2(p-cymene)]2 substrate. The basic skeleton of the complexes is justified with 1H-, 13C-NMR, and FTIR spectroscopic methods. The proposed structures of the complexes were further confirmed with elemental analysis. The crystal structure of the complex 2a has been determined by using single-crystal X-ray diffraction. Asymmetric unit of structure contains two crystallographically independent molecules, dichloromethane and two chloride anions. All complexes exhibited strong activity against MCF-7 (breast cancer) and HCT-116 (colon cancer) cancer cell lines better than standard anticancer drug cisplatin. The complex 2a showed the highest anticancer efficacy against MCF-7 (IC50: 13.89 mu M) and HCT-116 (IC50: 14.02 mu M). DNA binding study also demonstrates that all complexes have an interaction ability to DNA. Ethidium bromide fluorescence quenching assay revealed moderate DNA binding for complex 2a suggesting partial intercalation or groove binding with ct-DNA. Meanwhile, molecular docking simulations of potent rutheniumbased oxothiazolidine complexes (1a, 1c, and 2a) against breast (MCF-7) and (1a, 1c, and 2a) colon (HCT116) cancer cell models were carried out. The findings suggest that complex 2a is the best candidate complex for both cancers. Furthermore, complexes 1a and 1c demonstrated potent cytotoxic activity against MCF-7 breast cancer cells, whereas complexes 1b and 2d exhibited significant cytotoxic effects against HCT-116 colon cancer cells.
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    Prediction of newly synthesized heparin mimic's effects as heparanase inhibitor in cancer treatments via variational quantum neural networks
    (Elsevier Sci Ltd, 2025) Kocabay, Samet; Acar, Erdi; Memis, Samet; Taskin, Irmak Icen; Sever, Meryem Ruveyda; Sener, Ramazan
    Cancer remains a leading global cause of death, primarily driven by the uncontrolled proliferation of abnormal cells. Malignant tumors, such as carcinomas, originate from unchecked epithelial cell growth and produce growth factors like FGF and VEGF, which promote angiogenesis and tumor progression through heparanasemediated degradation of heparan-sulfate proteoglycans. Chitosan and its derivatives have shown promise in inhibiting tumor growth and metastasis. This study aims to investigate newly synthesized sulfated chitosan oligomers as heparin mimics to inhibit heparanase, evaluating their cytotoxic effects on SH-SY5Y, HCT116, A549, and MDA-MB-231 cancer cell lines. Moreover, it seeks to leverage a variational quantum neural network (VQNN) to predict and validate cytotoxicity outcomes, integrating quantum computing methods into evaluating novel anticancer compounds. The VQNN algorithm was applied to analyze the anticancer effects of sulfated chitosan oligomers. Cytotoxicity data from wet lab experiments validated the model's predictive performance. The VQNN model demonstrated strong predictive capabilities in evaluating anticancer compounds. Specifically, it achieved a mean absolute error (MAE) of 6.5844, indicating a similar trend to the experimental results. Additionally, the model obtained an R2 value of 0.6020, reflecting a moderate level of correlation between predicted and observed outcomes. The results underscore the potential of integrating quantum-based machine learning models into cancer research. The VQNN effectively predicted experimental outcomes, showcasing its utility in assessing novel anticancer compounds. This approach could speed up drug discovery by streamlining the identification and optimization of therapeutic candidates. Furthermore, the findings support the ongoing development of quantum computing techniques for tackling complex biological challenges, contributing to innovative cancer treatment strategies that target tumor growth and angiogenesis.