Yazar "Erdogan, Musa" seçeneğine göre listele

Listeleniyor 1 - 2 / 2
  • [ X ]
    Öğe
    Design, synthesis, characterization, computational analysis, structure-activity relationship, and investigation of the anticancer potential of novel dibromodibenzoazepine-based hybrid structures
    (Springer, 2025) Allito, Azza; Onder, Alper; Onder, Ferah Comert; Erdogan, Musa
    In this study, ten novel dibromodibenzoazepine-substituted triazole hybrid compounds (AZ1-AZ10) were designed via a molecular hybridization approach and synthesized using click chemistry methodology. In the synthesis, the dibromodibenzoazepine derivative (12) was initially synthesized via bromination. Subsequent propargylation yielded the key intermediate, dibromodibenzoazepine-propargyl derivative (13). The Cu (I)-catalyzed azide-alkyne cycloaddition (CuAAC) reaction of propargyl derivative (13) with various substituted azide derivatives afforded the target hybrid compounds in high yields. The structures of these compounds were characterized using various spectroscopic techniques, including H-1 NMR, C-13 NMR, and MS. Among the synthesized compounds, AZ9 was determined to have the highest cytotoxicity on breast and colon cancer cell lines, including BT20, MCF7, MDA-MB-231, and HT29 with the IC50 values of 0.54 +/- 0.09 mu M, 1.83 +/- 0.87 mu M, 3.88 +/- 0.15 mu M, and 5.31 +/- 0.38 mu M, respectively. In addition, AZ8 showed the cytotoxicity on BT20 and HT29 cells below 10 mu M. The cytotoxicity of AZ10 in studied cancer cell lines was calculated below 20 mu M. The compounds were investigated by computational analysis including molecular docking, molecular dynamics (MD) simulations, Molecular Mechanics with Generalized Born and Surface Area Solvation (MM/GBSA), and ADME predictions. As a result, AZ8-AZ10 may be promising anticancer agents targeting SphK1 and CDK6 to provide new perspectives for the design and development of novel click products.
  • [ X ]
    Öğe
    Design, synthesis, characterization, in silico studies, and in vitro anticancer evaluation of novel 7-methoxyquinolone-substituted triazole hybrids
    (Taylor & Francis Ltd, 2025) Allito, Lemiye; Comert Onder, Ferah; Demirel, Ramazan; Onder, Alper; Ozden, Ozkan; Erdogan, Musa
    AimsThe 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.