Interaction Behavior Between Niclosamide and Pepsin Determined by Spectroscopic and Docking Methods
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  • 作者:Liuqi Guo ; Xiaoli Ma ; Jin Yan ; Kailin Xu ; Qing Wang ; Hui Li
  • 关键词:Niclosamide ; Pepsin ; Binding ; Fluorescence spectroscopy ; Molecular modeling
  • 刊名:Journal of Fluorescence
  • 出版年:2015
  • 出版时间:November 2015
  • 年:2015
  • 卷:25
  • 期:6
  • 页码:1681-1693
  • 全文大小:4,800 KB
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  • 作者单位:Liuqi Guo (1)
    Xiaoli Ma (1)
    Jin Yan (1)
    Kailin Xu (1)
    Qing Wang (1)
    Hui Li (1)

    1. College of Chemical Engineering, Sichuan University, Chengdu, Sichuan, 610065, People’s Republic of China
  • 刊物类别:Biomedical and Life Sciences
  • 刊物主题:Biomedicine
    Biomedicine
    Biophysics and Biomedical Physics
    Biotechnology
    Biochemistry
    Analytical Chemistry
  • 出版者:Springer Netherlands
  • ISSN:1573-4994
文摘
The interaction between niclosamide (NIC) and pepsin was investigated using multispectroscopic and molecular docking methods. Binding constant, number of binding sites, and thermodynamic parameters at different temperatures were measured. Results of fluorescence quenching and synchronous fluorescence spectroscopy in combination with three-dimensional fluorescence spectroscopy showed that changes occurred in the microenvironment of tryptophan residues and the molecular conformation of pepsin. Molecular interaction distance and energy-transfer efficiency between pepsin and NIC were determined based on F?rster nonradiative energy-transfer mechanism. Furthermore, the binding of NIC inhibited pepsin activity in vitro. All these results indicated that NIC bound to pepsin mainly through hydrophobic interactions and hydrogen bonds at a single binding site. In conclusion, this study provided substantial molecular-level evidence that NIC could induce changes in pepsin structure and conformation. Keywords Niclosamide Pepsin Binding Fluorescence spectroscopy Molecular modeling

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