期刊
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
卷 150, 期 -, 页码 290-300出版社
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.saa.2015.05.064
关键词
Cu complexes; HSA; Spectroscopy; Docking
类别
资金
- Natural Science Foundation of China [21241005, 21461002, 21363001, 21401026]
- Major Project for Science and Technology of Jiangxi Province [20152ACB21016]
- Education Department of Jiangxi Province [15YB106]
Four new Cu(II) complexes (1, 2, 3 and 4) in the presence of different anions (Cl-, Br-, I- and ClO4-) have been prepared by tridentate NNN Schiff-base ligand (N,N-dimethyl-N'-[phenyl(2-pyridyl)methylenelet hane-1,2-diamine) and well characterized by single-crystal X-ray diffraction, elemental analysis, IR and UV-Vis spectroscopy. The interactions of complexes 1-4 with human serum albumin (HSA) have been investigated in Tris-HCl buffer solution at pH 7.4 by spectroscopic methods and a molecular docking technique. Experimental results proved that the four complexes quench the fluorescence of HSA through a static quenching mechanism. Thermodynamic parameters were calculated from Van't Hoff equation. The distance r between the donor (HSA) and acceptor (complexes 1-4) has been obtained by means of Forester resonance energy transfer (FRET). Molecular docking results indicated that the main active binding sites for complexes 1, 2 and 4 are site III in subdomain IB and for complex 3 is site II in subdomain III A. The combination of molecular docking results and fluorescence experimental results indicate that the interaction between 1-4 and HSA are dominated by hydrophobic forces as well as hydrogen bonds. (c) 2015 Elsevier B.V. All rights reserved.
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