Five new cobalt(II) complexes based on indazole derivatives: synthesis,DNA binding and molecular docking study |
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| Authors: | Bing-Fan Long Qin Huang Shu-Long Wang Yan Mi Meng-Fan Wang Ting Xiong |
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| Institution: | 1. Guangxi Key Laboratory of Chemistry and Engineering of Forest Products, Guangxi University for Nationalities, Nanning, P. R. China;2. Guangxi Key Lab of Agricultural Resources Chemistry and Biotechnology, Yulin Normal University, Yulin, P. R. China |
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| Abstract: | 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 that 1–3 possess mononuclear Co(II) structures, while 4 and 5 exhibit binuclear structure. 1D water tape which is linked by the multiple hydrogen bonds was embedded in the 3D motif of complex 3. Complexes 4 and 5 show 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-DNA via a groove binding mode. Their behavior rationalization was further theoretically studied by molecular docking. |
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| Keywords: | Cobalt(II) complexes DNA-binding crystal structure molecular docking indazole acid |
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