A copper(II) complex of 6-(pyrazin-2-yl)-1,3,5-triazine-2,4-diamine and L-serinate: synthesis, crystal structure, DNA-binding and molecular docking studies

作者：Zhang, Chun-Lian; Zhang, Xue-Mei; Liu, Wei; Chen, Shi^*; Le, Xue-Yi^*

来源：Transition Metal Chemistry, 2018, 43(3): 201-209.

DOI：10.1007/s11243-017-0200-6

• SCHIFF-BASE COMPLEXES
• ANTICANCER ACTIVITY
• METAL-COMPLEXES
• LIGAND
• CLEAVAGE
• AGENTS
• 1,10-PHENANTHROLINE
• RUTHENIUM(II)
• CYTOTOXICITY
• ACID

A water-soluble Cu(II) complex, [Cu(pzta)(L-Ser)(ClO4)]center dot 1.5H(2)O (pzta = 6-(pyrazin-2-yl)-1,3,5-triazine-2,4-diamine; L-Ser = L-serinate), was synthesized and characterized by analytical and spectral techniques. In addition, the molecular structure of the complex was confirmed by single-crystal X-ray diffraction, revealing that the central Cu(II) atom was located in a six-coordinate distorted octahedral geometry. Multi-spectroscopic methods, viscosity measurements and thermal denaturation experiments revealed that the complex binds to DNA with apparent binding constant of 2.93 x 10(3) M-1 through a groove binding mode. The positive values of Delta H and Delta S obtained from isothermal titration calorimetry experiments indicated that hydrophobic interactions play an important role in the formation of the complex-DNA adduct. Molecular docking studies were carried out to better understand the binding mode of the complex with DNA.

• 出版日期2018-4
• 单位华南农业大学