Browsing by Author "Anil, Derya Aktas"

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Bischalcone Derivatives with Fluorine and Methoxy Functional Groups: Synthesis, Molecular Docking, and Biological Evaluation as Potential Anticancer Agents
(Elsevier, 2025) Ozcan, Seyda; Anil, Derya Aktas; Ozkat, Gozde Yalcin; Sanli, Fatma; Karatas, Omer Faruk; Burmaoglu, Serdar
The present study employed the Claisen-Schmidt condensation reaction to synthesize a series of bischalcones featuring fluorine atoms positioned at different positions in the B rings and 1,3,5-trimethoxy groups in the A ring. The impact of these bischalcones on head and neck cancer cells was assessed through in vitro and in silico methodologies. As determined by the cell viability assay, compound 20, which had an IC50 value of 6.5 +/- 0.2 mu M, was the most lethal to FaDu cells of all compounds, although its cytotoxicity against healthy PNT1a cells was relatively low. Molecular docking and molecular dynamics simulations were performed on five receptors identified through in silico biological activity analysis: EGFR, Pim-1 kinase, PI3K alpha/mTOR, VEGFR, and P2Y1 Purinergic receptor. The compounds exhibited a primary target of EGFR, as evidenced by their effectiveness that was approximately one hundred times greater than that of the reference molecule. Compounds 18 and 20 exhibited remarkable efficacies as precursors to anticancer drugs.
Synthesis and Evaluation of Sulfonamide-Chalcone Hybrid Compounds as Inhibitors of Vegfr1/Vegfr2-Mediated Angiogenesis
(Academic Press Inc Elsevier Science, 2025) Barlak, Neslisah; Sanli, Fatma; Celik, Suleyman; Iskender, Burhan; Anil, Derya Aktas; Gambacorta, Nicola; Karatas, Omer Faruk
Cancer continues to be a major worldwide health concern, with angiogenesis playing a pivotal role in its progression and metastasis. The capacity of tumors to induce angiogenesis is crucial for their proliferation and metastasis, rendering it a significant target for treatment strategies. This study involved the synthesis of sulfonamide-chalcone hybrid compounds and the evaluation of their anti-angiogenic activity by the assessment of their effects on vascular endothelial growth factor receptors (VEGFR1/VEGFR2) in human umbilical vein endothelial cells (HUVECs). Among the synthesized compounds, 28 and 31 exhibited the most promising inhibitory effects similar to sorafenib as positive control, with IC50 values superior to 10 mu M. They dramatically diminished endothelial cell proliferation and tube formation without exhibiting significant cytotoxicity against healthy human cells. Molecular docking simulations validated their binding affinity to VEGFR1/VEGFR2 receptors, elucidating their molecular mechanisms. Moreover, compounds 28 and 31 exhibited significant antiangiogenic activity in both 2D and 3D angiogenesis assays, indicating their potential as novel anti-cancer agents. These findings underscore the therapeutic potential of these compounds in blocking angiogenesis and necessitate additional in vivo research to confirm their clinical relevance.