Department of Chemistry, Abdul Wali Khan University Mardan (AWKUM) KPK, Mardan 23200, Pakistan.
Department of Chemistry, Division of Biochemistry and Life Science, University of Glasgow, Glasgow G12 8QQ, UK.
Molecules. 2023 Aug 7;28(15):5926. doi: 10.3390/molecules28155926.
Currently, numerous ongoing studies are investigating the interaction of free radicals with biological systems, such as lipids, DNA and protein. In the present work, synthesis, characterization, antioxidant, DNA binding and molecular docking studies of Schiff base ligand and its Ni(II), Co(II), Cu(II) and Zn(II) were evaluated. The metal complexes have shown significant dose-dependent antioxidant activities higher than those of the free ligand but lesser than those of the standard antioxidant, ascorbic acid. The DNA binding constants () were found in the order Zn(pimp) {9.118 × 10 M} > H-pimp {3.487 × 10 M} > Co(pimp) {3.090 × 10 M} > Ni(pimp) {1.858 × 10 M} > Cu(pimp) {1.367 × 10 M}. Binding constants () values calculated from the molecular docking analysis were found to be in close agreement with the experimental results. The obtained results indicate the importance of synthesis complexes as a source of synthetic antioxidants and anticancer drugs.
目前，许多正在进行的研究都在探讨自由基与生物系统（如脂质、DNA 和蛋白质）的相互作用。本工作合成、表征了希夫碱配体及其 Ni(II)、Co(II)、Cu(II)和 Zn(II)配合物，评估了它们的抗氧化、DNA 结合和分子对接研究。金属配合物具有显著的剂量依赖性抗氧化活性，高于游离配体，但低于标准抗氧化剂抗坏血酸。DNA 结合常数（Kb）的顺序为 Zn(pimp)>{9.118×10^4}M> H-pimp>{3.487×10^4}M>Co(pimp)>{3.090×10^4}M>Ni(pimp)>{1.858×10^4}M>Cu(pimp)>{1.367×10^4}M。从分子对接分析计算得到的结合常数（Kd）值与实验结果非常吻合。研究结果表明，合成这些配合物作为合成抗氧化剂和抗癌药物的来源具有重要意义。
