Construction of six complexes from 2-(2-pyridyl)benzothiazole and polycarboxylic acids: Synthesis, crystal structures and DNA-binding properties

• Published in: Journal of molecular structure 2020-02, Vol.1202, p.127219, Article 127219
• Main Authors: Yang, Yu, Bian, Jiang-Yu, Li, Yu-Han, Guan, Hui-Chao, Tang, Yan-Ru, Chen, Yan-Ling, Yue, Shu-Mei
• Format: Article
• Language: English
• Subjects: 2-(2-pyridyl)benzothiazole; Calf thymus DNA; Single-crystal structures
• ISSN: 0022-2860; 1872-8014
• DOI: 10.1016/j.molstruc.2019.127219

Six complexes including [Cd (bpt)(odc)2] (1), [Ni(bpt)(odc)2] (2), [Zn (bpt)(odc)2] (3), [Zn (bpt)(1,4-ndc)2(H2O)] (4), [Cd (bpt)(1,4-ndc)2] (5), [Cd (bpt)(Pta)2(H2O)2] (6), {bpt = 2-(2 pyridyl)benzothiazole, H2odc = 4,4′-oxybisbenzoic acid, 1,4-H2ndc = naphthalene-1,4-dicarboxylic acid, Pta = terephthalic acid}, have been determined by single-crystal X-ray diffraction analysis, which shows that complexes 1–3 belong to monoclinic system with space group P21/n, complex 4 and complex 6 belong to triclinic system with space group P-1, complex 5 belongs to monoclinic system with space group P21/c. TD-DFT calculations for the complexes 3 was performed to explain the structures and electronic spectral properties. UV spectroscopy, fluorescence spectroscopy and viscosity were used to characterize the interaction of the CT-DNA complexes. The results indicate that complexes 1–6 have strong interaction with CT-DNA binding. All complexes exhibit an electrostatic or groove mode of binding with DNA. Furthermore, they also present that all complexes have strong ability to interact with DNA. It can effectively destroy the DNA acting on cancer cells. Therefore, we hope to provide a theoretical and scientific basis for the development of anti-cancer drugs. •Six new complexes have been synthesized and characterized. Complex 5 has special structures.•The fluorescence properties of complex 3 were calculated by TD-DFT method, while were consistent with the experimental results.•The CT-DNA binding with six new complexes were investigated by absorption, fluorescence spectroscopy and viscosity measurements. The experiment result shows that these complex can probably bind to CT-DNA via an electrostatic or groove mode.