Five new cobalt(II) complexes based on indazole derivatives: synthesis, DNA binding and molecular docking study
Five new cobalt(II) complexes based on indazole derivatives: synthesis, DNA binding and molecular docking study
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五种基于吲唑衍生物的新型钴(II)配合物：合成、DNA结合和分子对接研究
DOI：
10.1080/00958972.2019.1566537
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发表时间：
2019
影响因子：
1.9
通讯作者：
Hu Fei Long
中科院分区：
文献类型：
--
作者：
Long Bing Fan;Huang Qin;Wang Shu Long;Mi Yan;Wang Meng Fan;Xiong Ting;Zhang Shu Cong;Yin Xian Hong;Hu Fei Long
以h -吲哚-3-羧酸（H2L）、[Co(phen)(HL)2]·2H2O(1)、[Co(5,5′-二甲基-2,2′-bipy)(HL)2](2)、[Co(2,2′-bipy)2(HL)2]·5H2O(3)、[Co2(2,9-二甲基-1,10- phenen)2(L)2](4)和[Co2(6,6′-二甲基-2,2′-bipy)2(L)2]·H2O（5)（2,2′-bipy = 2,2′-联吡啶，phen = 1,10-菲罗啉））为基础合成了5种钴（II）配合物，并通过元素分析、IR、uv -可见光谱和单晶x射线晶体学对其进行了结构表征。结果表明，1 - 3具有单核Co（II）结构，而4和5具有双核Co（II）结构。在配合物3的三维基序中嵌入了由多个氢键连接的一维水带。络合物4和5分别由苯/2,2′-bipy和茚唑酸构成两个正交的基序平面。分子间相互作用，包括氢键和π-π堆积相互作用，稳定了这些配合物。采用紫外-可见吸收滴定法、溴化乙啶置换法和粘度测定法研究了合成的配合物与小牛胸腺DNA （CT-DNA）的相互作用。结果表明，这些配合物可以与CT-DNAviaa凹槽结合模式相互作用。通过分子对接进一步从理论上研究了它们的行为合理化。
Five cobalt(II) complexes based on 1H-indazole-3-carboxylic acid (H2L), [Co(phen)(HL)2]·2H2O (1), [Co(5,5′-dimethyl-2,2′-bipy)(HL)2] (2), [Co(2,2′-bipy)2(HL)2]·5H2O (3), [Co2(2,9-dimethyl-1,10-phen)2(L)2] (4) and [Co2(6,6′-dimethyl-2,2′-bipy)2(L)2]·H2O (5) (2,2'-bipy = 2,2′-bipyridine, phen = 1,10-phenanthroline), have been synthesized and structurally characterized by elemental analyses, IR and UV-vis spectroscopies and single-crystal X-ray crystallography. The results indicate that1–3possess mononuclear Co(II) structures, while4and5exhibit binuclear structure. 1D water tape which is linked by the multiple hydrogen bonds was embedded in the 3D motif of complex3. Complexes4and5show two orthogonal planes of motif that was constituted by phen/2,2′-bipy and indazole acid, respectively. The intermolecular interactions including hydrogen bonding and π-π stacking interactions are stabilizing these complexes. The interactions of the synthesized complexes with calf-thymus DNA (CT-DNA) have been investigated by UV-vis absorption titration, ethidium bromide displacement assay and viscosity measurements. The results reveal that the complexes could interact with CT-DNAviaa groove binding mode. Their behavior rationalization was further theoretically studied by molecular docking.