To evaluate the cytotoxic potential of metal-based chemotherapeutic candidate towards the colorectal cancer, we have synthesized a new copper(II) complex [Cu(qmbn)(q)(Cl)] (1) (where, qmbn = 2-(quinolin-8-yloxy)(methyl)benzonitrile and q = 8-hydroxyquinoline) and structurally characterized by single crystal X-ray, Powder-XRD, FTIR and thermogravimetric analysis (TGA). The structural analysis reveals that copper(II) ions exist in a distorted square pyramidal (τ = ∼0.1), with ligation of a chloride ion, oxygen atom and two nitrogen atoms at equatorial position and one oxygen atom at apical position. The cytotoxicity potential of complex 1 was executed against human colorectal cell lines (HCT116), which showed that 1 induces mitochondrion-mediated apoptotic cell death via activation of the Bax (pro-apoptotic protein) caspases-3 and 9 proteins. Interestingly, complex 1 was found to be a good candidate as electron-transfer catalyst which mimics catacholase with high turnover frequency (k_cat = 1.03 × 10² h^-1) for the conversion of the model substrate 3,5-di-tertbutylcatechol (3,5-DTBC) to 3,5-di-tertbutylquinone (3,5-DTBQ). Furthermore, molecular docking studies revealed that complex 1 was successfully localized inside the binding pocket of protein kinase (Akt), which validate the mechanism and mode of interaction of 1 that displayed cytotoxic activity experimentally. The obtained outcomes reveal that the complex 1 could be utilized as an encouraging perspective in the development of new therapeutic candidate for colon cancer.

为了评估基于金属的化疗候选药物对结直肠癌的细胞毒性潜力，我们合成了一种新的铜 (II) 络合物 [Cu(qmbn)(q)(Cl)] ( 1 )（其中，qmbn = 2-(quinolin -8-yloxy)(methyl)benzonitrile and q = 8-hydroxyquinoline) 并通过单晶 X 射线、粉末 XRD、FTIR 和热重分析 (TGA) 进行结构表征。结构分析表明，铜（II）离子以扭曲的四方锥体（τ = ∼0.1）存在，赤道位置连接了一个氯离子、氧原子和两个氮原子，顶端位置连接了一个氧原子。复合物1对人结直肠细胞系 (HCT116)的细胞毒性潜力表明，1通过激活 Bax（促凋亡蛋白）caspases-3 和 9 蛋白，诱导线粒体介导的细胞凋亡。有趣的是，发现配合物1是一个很好的电子转移催化剂候选者，它模拟具有高转换频率（k _cat = 1.03 × 10 ² h ^-1）的邻苯二酚酶，用于转化模型底物 3,5-二叔丁基邻苯二酚（ 3,5-DTBC) 到 3,5-二叔丁基醌 (3,5-DTBQ)。此外，分子对接研究表明，复合物1成功定位于蛋白激酶 (Akt) 的结合口袋内，验证了1相互作用的机制和模式。在实验中显示出细胞毒活性。获得的结果表明，复合物1可作为开发新的结肠癌候选药物的令人鼓舞的前景。