Abstract The undesirable effects caused by the chemotherapeutic drugs are already in use, mainly the platinated compounds requiring amendments for which many potential scaffolds resembling the activity of cisplatin are explored. Herein, the DNA binding, cleavage, molecular docking, antimicrobial proficiency, and cytotoxic nature of four non-platinated transition metal(II) complexes incorporating pyridine moiety were investigated. The complexes adopted octahedral geometry, and the mode of interaction with DNA was explored by absorption spectroscopy, fluorescence spectroscopy, electrochemical technique, and viscosity measurements. These studies indicate a groove-binding mode of the complexes to CT DNA. The stability of the synthesized complexes was investigated at physiological pH. All the complexes exhibited single-strand scission of the supercoiled pBR322 DNA where copper(II) complex (1) showed double-strand DNA prominently by converting the supercoiled DNA to linear form. The antimicrobial screening of the complexes yielded expected results. The complexes selectively showed activity against cancer cell lines and less toxicity toward the noncancerous NHDF cell line. Overall, 1 showed superior activity in the biological investigation. These studies reveal that the coordination of transition metal(II) ion with the ligand plays a pivotal role in the enhancement of the biological potential of the complexes. Graphical Abstract

中文翻译：

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吡啶基过渡金属（II）配合物的体外抗癌筛选、分子对接和生物学效率的洞察

摘要 化疗药物引起的不良反应已经在使用中，主要是需要修正的铂化合物，探索了许多类似于顺铂活性的潜在支架。在此，研究了四种包含吡啶部分的非铂过渡金属 (II) 配合物的 DNA 结合、切割、分子对接、抗菌能力和细胞毒性。配合物采用八面体几何结构，并通过吸收光谱、荧光光谱、电化学技术和粘度测量探索了与 DNA 的相互作用模式。这些研究表明复合物与 CT DNA 的凹槽结合模式。在生理pH值下研究了合成复合物的稳定性。所有复合物都表现出超螺旋 pBR322 DNA 的单链断裂，其中铜 (II) 复合物 (1) 通过将超螺旋 DNA 转化为线性形式而显着显示双链 DNA。复合物的抗菌筛选产生了预期的结果。该复合物选择性地显示出抗癌细胞系的活性，而对非癌性 NHDF 细胞系的毒性较小。总体而言，1 在生物学研究中显示出优异的活性。这些研究表明，过渡金属 (II) 离子与配体的配位在增强配合物的生物潜力方面起着关键作用。图形概要 该复合物选择性地显示出抗癌细胞系的活性，而对非癌性 NHDF 细胞系的毒性较小。总体而言，1 在生物学研究中显示出优异的活性。这些研究表明，过渡金属 (II) 离子与配体的配位在增强配合物的生物潜力方面起着关键作用。图形概要 该复合物选择性地显示出抗癌细胞系的活性，而对非癌性 NHDF 细胞系的毒性较小。总体而言，1 在生物学研究中显示出优异的活性。这些研究表明，过渡金属 (II) 离子与配体的配位在增强配合物的生物潜力方面起着关键作用。图形概要