A series of copper (II) (1 and 3) and cobalt (II/III) (2, 4 and 5) complexes comprising different imino‐phenolate ligands DCH, DTH and DBH₂ (where DCH = 2,4‐dichloro‐6‐((mesitylimino)methyl)phenol, DTH = 2,4‐di‐tert‐butyl‐6‐((mesitylimino)methyl) phenol and DBH₂ = 2,4‐dibromo‐6‐((mesitylimino)methyl)phenol) have been prepared with excellent yield and high purity. By utilizing different spectroscopic tools such as UV–visible, electrospray ionization (ESI)‐mass, Fourier‐transform infrared (FTIR) spectrometry and elemental analysis, the prepared complexes (1–5) were thoroughly characterized. The molecular structure of the synthesized complexes was ascertained by using single‐crystal X‐ray diffraction studies (SCXRDs). The experiment reveals that Complexes 1–5 bind to calf thymus DNA (CT‐DNA) through non‐intercalative way with good interacting abilities. However, 1–5 are excellent quenchers of the fluorescence intensity of bovine serum albumin (BSA) following the static pathway. Additionally, they had shown remarkable cytotoxic potential against MCF‐7 (mammary gland adenocarcinoma) and A549 (lung adenocarcinoma) cell lines. The IC₅₀ values associated with these complexes were much lower than the conventional drug cisplatin. Apoptosis‐induced cell death was confirmed from the DNA fragmentation studies and Hoechst 33342 staining. The 2′,7′‐dichlorofluorescein diacetate (DCFDA) assay indicates that the complex mediated reactive oxygen species (ROS) generation is accountable for governing the apoptosis mechanism via oxidative cell distress. Apart from these studies, by carrying out density functional theory (DFT) method, highest occupied molecular orbital–lowest unoccupied molecular orbital (HOMO–LUMO) energy gap calculations and optimized structures of the synthesized complexes were accomplished.

中文翻译：

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N，O螯合的席夫碱配体的铜（II）和钴（II / III）配合物：DNA相互作用，蛋白质结合，细胞毒性，细胞死亡机制和活性氧生成研究

一系列铜（II）（的1和3）和钴（II / III）（2，4和5，其包括不同的亚氨基-酚盐）配合物的配体DCH，DTH和DBH ₂（其中DCH = 2,4-二氯-6- -（（间苯二甲酰亚胺基）甲基）苯酚，DTH = 2,4-二叔丁基--6-（（间苯二甲酰亚胺基）甲基）苯酚和DBH ₂= 2,4-二溴-6-（（间苯二甲酰亚胺基）甲基）苯酚）的制备具有优异的收率和高纯度。通过使用不同的光谱工具，如紫外-可见，电喷雾电离（ESI）基苯，傅立叶变换红外（FTIR）光谱和元素分析，将制备的复合物（1 - 5）充分表征。通过使用单晶X射线衍射研究（SCXRD）确定了合成配合物的分子结构。该实验表明，配合物1 - 5通过非插层的方式具有良好的相互作用的能力结合的小牛胸腺DNA（小牛胸腺DNA）。然而，1 - 5是沿静态途径作用的牛血清白蛋白（BSA）荧光强度的出色猝灭剂。此外，它们还显示出了对MCF-7（乳腺腺癌）和A549（肺腺癌）细胞系的显着细胞毒性潜力。IC ₅₀这些复合物的相关值比常规药物顺铂低得多。DNA片段研究和Hoechst 33342染色证实了凋亡诱导的细胞死亡。2'，7'-二氯荧光素二乙酸酯（DCFDA）分析表明，复合物介导的活性氧（ROS）的产生是通过氧化性细胞窘迫控制细胞凋亡机制的原因。除了这些研究，通过执行密度泛函理论（DFT）方法，完成了最高占据分子轨道-最低未占据分子轨道（HOMO-LUMO）的能隙计算以及合成配合物的优化结构。