Department of Chemistry, Saveetha School of Engineering, Saveetha Institute of Medical and Technical Sciences (SIMATS), Saveetha University, Chennai, Tamil Nadu 602 105, India.
Department of Chemistry, E.G.S. Pillay Engineering College, Nagapattinum, Tamil Nadu 611 002, India.
Int J Biol Macromol. 2023 Sep 30;249:126095. doi: 10.1016/j.ijbiomac.2023.126095. Epub 2023 Aug 2.
New metal(II) complexes (CuL and ZnL) with pyrimidine appended Schiff base ligand (HL) were synthesized and characterized by diverse spectroscopic methods, reveals the proposed structure of metal(II) complexes possess square planar geometry. DNA interaction ability of isolated compounds was studied by UV-Visible, fluorescence, viscometric and electrochemical methods and the results showed that isolated compounds intercalated with calf thymus DNA (CT-DNA). In addition, anticancer activities of HL, CuL and ZnL have been evaluated by MTT assay, signifying moderate cytotoxic activity on selected cancer cell lines and less toxicity on NHDF normal cell line due to the specific targeting of pyrimidine analogues. Moreover, antioxidant activities of isolated compounds towards diverse free radicals have been studied by spectrophotometric methods. These results showed that CuL has better antioxidant ability than HL and ZnL. Finally, antimicrobial activities of isolated compounds against selected antimicrobial pathogens exposed that CuL has better antimicrobial activity on E. coli and C. albicans than other antimicrobial pathogens. The DFT calculations have been done to get the optimized geometry of the ligand and the metal complexes. In order to get a broad understanding of the interactions of these synthesized metal complexes, a detailed molecular docking analysis is taken up.
新型金属（II）配合物（CuL 和 ZnL）与嘧啶衍生希夫碱配体（HL）合成并通过多种光谱方法进行了表征，揭示了所提出的金属（II）配合物的结构具有正方形平面几何形状。通过紫外可见光谱、荧光光谱、粘度和电化学方法研究了分离化合物与小牛胸腺 DNA（CT-DNA）的 DNA 相互作用能力，结果表明分离化合物与 CT-DNA 发生插入作用。此外，通过 MTT 测定法评估了 HL、CuL 和 ZnL 的抗癌活性，由于嘧啶类似物的特异性靶向，它们对选定的癌细胞系表现出中等的细胞毒性活性，对 NHDF 正常细胞系的毒性较小。此外，通过分光光度法研究了分离化合物对各种自由基的抗氧化活性。结果表明，CuL 比 HL 和 ZnL 具有更好的抗氧化能力。最后，对分离化合物的抗菌活性进行了研究，结果表明，CuL 对大肠杆菌和白色念珠菌的抗菌活性优于其他抗菌病原体。进行了 DFT 计算以获得配体和金属配合物的优化几何形状。为了更全面地了解这些合成金属配合物的相互作用，进行了详细的分子对接分析。
