在本研究中，一种单核 Cu(II) [CuL(SCN)] (1) 和一种单核 Co(II) [CoLN3] (2) 配合物，与 2-吡啶甲基胺缩合形成的席夫碱配体 (HL)和水杨醛，已成功开发并进行了结构表征。两种配合物的方形平面几何形状是通过一种去质子化配体和一种辅助配体 SCN-(1) 或 N3-(2) 与金属中心的配位来实现的。使用多种生物物理和光谱技术研究了两种复合物与脱氧核糖核酸 (DNA) 和人血清白蛋白 (HSA) 的结合亲和力。大分子复合物结合常数的高值和其他结果证实了两种复合物与 DNA 和 HSA 结合的有效性。确定的热力学参数值支持两种复合物与 HSA 的自发相互作用，而荧光位移和 DNA 熔解研究则建立了复合物 1 和 2 与 DNA 的凹槽结合相互作用。分子建模研究验证了实验结果。两种复合物均经过 MTT 测试，确定复合物 1 的抗癌特性，对正常细胞的风险较低，这一点通过复合物对 HeLa 癌细胞和 HEK 正常细胞的 IC50 值得到证实。最后，核染色分析表明该复合物已导致细胞凋亡。版权所有 © 2024。由 Elsevier B.V. 出版。

In the present study, one mononuclear Cu(II) [CuL(SCN)] (1) and one mononuclear Co(II) [CoLN3] (2) complexes, with a Schiff base ligand (HL) formed by condensation of 2-picolylamine and salicylaldehyde, have been successfully developed and structurally characterized. The square planer geometry of both complexes is fulfilled by the coordination of one deprotonated ligand and one ancillary ligand SCN-(1) or N3-(2) to the metal centre. Binding affinities of both complexes with deoxyribonucleic acid (DNA) and human serum albumin (HSA) are investigated using several biophysical and spectroscopic techniques. High values of the macromolecule-complex binding constants and other results confirm the effectiveness of both complexes towards binding with DNA and HSA. The determined values of the thermodynamic parameters support spontaneous interactions of both complexes with HSA, while fluorescence displacement and DNA melting studies establish groove-binding interactions with DNA for both complexes 1 and 2. The molecular modelling study validates the experimental findings. Both complexes are subjected to an MTT test establishing the anticancer property of complex 1 with lower risk to normal cells, confirmed by the IC50 values of the complex for HeLa cancer cells and HEK normal cells. Finally, a nuclear staining analysis reveals that the complexes have caused apoptotic cell death.Copyright © 2024. Published by Elsevier B.V.