title: Study on the interaction between curcumin and CopC by spectroscopic and docking methods.
abstract: Curcumin is a widely studied polyphenolic compound which has a variety of biological activity as anti-inflammatory and antitumor drugs. Recent research reported that copper chaperone binding with small molecular may relate to the treatment of cancer. In this work, the interaction between curcumin and CopC has been investigated in detail by means of UV-vis absorption, FTIR, CD, fluorescence spectroscopic and molecular docking methods The results showed that the CopC conformation was altered by curcumin with reduction of β-sheet and increase of random coil. Furthermore, curcumin can form a host-guest inclusion supramolecular complex with curcumin, and the forming constant had been calculated to be (2.85±0.21)×105M-1. In addition, the binding ability between Cu2+and curcumin was less than that between Cu2+and CopC. Moreover, the binding of curcumin with Cu2+has an effect on the binding ability between curcumin and CopC. The thermodynamic parameters ΔH and ΔS at different temperatures were obtained. The formation of CopC-curcumin complex depended on the hydrophobic force, and the binding average distance between CopC and curcumin was determined. What's more, the binding site of curcumin to CopC was shown vividly by an automated public domain software package ArgusLab 4.0.1.
authors.affiliation: Taiyuan Normal University Department of Chemistry, Taiyuan, 030012, China.
authors.forename: Zhen
authors.initials: Z
authors.lastname: Song
authors.affiliation: Taiyuan Normal University Department of Chemistry, Taiyuan, 030012, China.
authors.forename: Wen
authors.initials: W
authors.lastname: Yuan
authors.affiliation: Taiyuan Normal University Department of Chemistry, Taiyuan, 030012, China.
authors.forename: Ruitao
authors.initials: R
authors.lastname: Zhu
authors.affiliation: Taiyuan Normal University Department of Chemistry, Taiyuan, 030012, China.
authors.forename: Song
authors.initials: S
authors.lastname: Wang
authors.affiliation: Taiyuan Normal University Department of Chemistry, Taiyuan, 030012, China; Humic Acid Engineering and Technology Research Center of Shanxi Province, Taiyuan, 030012, China.
authors.forename: Caifeng
authors.initials: C
authors.lastname: Zhang
authors.affiliation: Institute of Molecular Science, Key Laboratory of Chemical Biology and Molecular Engineering of Ministry of Education, Shanxi University, Taiyuan, 030006, China. Electronic address: yangbs@sxu.edu.cn.
authors.forename: Binsheng
authors.initials: B
authors.lastname: Yang
mesh_terms: D001426:Bacterial Proteins / Q000737:chemistry* / Q000235:genetics / Q000378:metabolism*; D003474:Curcumin / Q000378:metabolism*; D004735:Energy Transfer; D062105:Molecular Docking Simulation; D009154:Mutation; D011485:Protein Binding; D017433:Protein Structure, Secondary; D058767:Protein Unfolding / Q000187:drug effects; D013057:Spectrum Analysis; D014508:Urea / Q000494:pharmacology
chemical_list: D001426:Bacterial Proteins; C071265:CopC protein, Bacteria; D014508:Urea; D003474:Curcumin
keywords: CopC; Curcumin; Fluorescence