The synthesis of eight novel Zn(II), Co(II), Cu(II), Ni(II) and Pt(II) complexes (2–9) derived from the ONNO tetradentate coumarin Schiff-Base donor ligands, L₁ and the novel L₂, was performed. All compounds were characterized by analytical, spectrometry and spectroscopy techniques. Complexes 2–4 were also characterized by DFT calculations and the structures of 5 and 6 were determined by single-crystal X-ray diffraction analysis. A cytotoxicity study was carried out through an MTT assay in the carcinogenic cell line HeLa and the noncarcinogenic cell lines HFF-1 and HaCaT. The results indicated that among all the evaluated compounds, 2 and 6 presented the best anticarcinogenic potential against HeLa cells with an IC₅₀ of 3.5 and 4.1 µM, respectively. In addition, classical molecular dynamics simulations were performed on the synthesized coordination compounds bound to G4 DNA architectures in the scope of shedding light on their inhibition mode and the most conserved interactions that may lead to the biological activity of the compounds.

八种新型 Zn (II)、Co (II)、Cu (II)、Ni (II) 和 Pt (II) 配合物 ( 2-9 ) 的合成，这些配合物源自 ONNO 四齿香豆素 Schiff-Base 供体配体L ₁和小说L ₂，执行。所有化合物均通过分析、光谱和光谱技术进行表征。配合物2 - 4也通过 DFT 计算和5和6的结构表征由单晶 X 射线衍射分析确定。在致癌细胞系 HeLa 和非致癌细胞系 HFF-1 和 HaCaT 中通过 MTT 测定进行细胞毒性研究。结果表明，在所有评估的化合物中，2和6对 HeLa 细胞具有最佳的抗癌潜力，IC _{50 分别}为 3.5 和 4.1 µM。此外，在阐明其抑制模式和可能导致化合物生物活性的最保守相互作用的范围内，对与 G4 DNA 结构结合的合成配位化合物进行了经典分子动力学模拟。