Abstract

Novel metal complexes of nickel(II), copper(II) and zinc(II) have been synthesized and characterized. DFT‐based molecular orbital energy calculations of the synthesized ligand and metal complexes have been studied. Ligand and its complexes were screened for their antibacterial activities by disk diffusion method. The quantitative antimicrobial activity of the test compounds was evaluated using Resazurin based Microtiter Dilution Assay. The interaction of these complexes with Herring sperm DNA (HS-DNA) was analyzed via UV–Visible absorption, circular dichroism and Voltammetric studies, which indicates that these complexes bind to HS-DNA by intercalation binding mode. Molecular docking was also used to identify the interaction between ligand and complexes with DNA. α-Amylase inhibition activity of ligand its metal complexes has been determined by DNS method. Kinetic studies were carried out to identify the mode of inhibition using Lineweaver-Burk plot. The cytotoxicity of these metal complexes has been evaluated by MTT assay against normal 3T3L1 cells.

摘要

已合成并表征了镍 (II)、铜 (II) 和锌 (II) 的新型金属配合物。已经研究了合成的配体和金属配合物的基于 DFT 的分子轨道能量计算。通过圆盘扩散法筛选配体及其复合物的抗菌活性。使用基于刃天青的微量滴定稀释测定来评估测试化合物的定量抗微生物活性。通过紫外-可见吸收、圆二色性和伏安研究分析了这些复合物与鲱鱼精子 DNA (HS-DNA) 的相互作用，这表明这些复合物通过嵌入结合模式与 HS-DNA 结合。分子对接也用于鉴定配体和复合物与 DNA 之间的相互作用。配体及其金属配合物的α-淀粉酶抑制活性已通过DNS方法测定。进行动力学研究以使用 Lineweaver-Burk 图确定抑制模式。这些金属配合物的细胞毒性已通过 MTT 测定对正常 3T3L1 细胞进行了评估。