title: Study of the interaction of deoxynivalenol with human serum albumin by spectroscopic technique and molecular modelling.
abstract: The mechanism of interaction between deoxynivalenol (DON) and human serum albumin (HSA) was studied using spectroscopic methods including fluorescence spectra, UV-VIS, Fourier transform infrared (FT-IR) and circular dichroism (CD). The quenching mechanism was investigated in terms of the association constants, number of binding sites and basic thermodynamic parameters. The distance between the HSA donor and the acceptor DON was 2.80 nm as derived from fluorescence resonance energy transfer. The secondary structure compositions of free HSA and its DON complexes were estimated by the FT-IR spectra. Alteration of the secondary protein structure in the presence of DON was confirmed by UV-VIS and CD spectroscopy. Molecular modelling revealed that a DON-protein complex was stabilised by hydrophobic forces and hydrogen bonding. It was potentially useful for elucidating the toxigenicity of DON when combined with biomolecular function effect, transmembrane transport, toxicological testing and the other experiments.
authors.affiliation: School of Pharmacy, Taishan Medical College, Taian 271016, China. liyuqin@tsmc.edu.cn
authors.forename: Yuqin
authors.initials: Y
authors.lastname: Li
authors.forename: Hao
authors.initials: H
authors.lastname: Wang
authors.forename: Baoxiu
authors.initials: B
authors.lastname: Jia
authors.forename: Caihong
authors.initials: C
authors.lastname: Liu
authors.forename: Ke
authors.initials: K
authors.lastname: Liu
authors.forename: Yongxiu
authors.initials: Y
authors.lastname: Qi
authors.forename: Zhide
authors.initials: Z
authors.lastname: Hu
mesh_terms: D001665:Binding Sites; D002942:Circular Dichroism; D004735:Energy Transfer; D031541:Fluorescence Resonance Energy Transfer; D006801:Humans; D006860:Hydrogen Bonding; D057927:Hydrophobic and Hydrophilic Interactions; D008958:Models, Molecular; D011487:Protein Conformation; D012709:Serum Albumin / Q000737:chemistry* / Q000187:drug effects*; D013050:Spectrometry, Fluorescence; D017550:Spectroscopy, Fourier Transform Infrared; D013057:Spectrum Analysis; D013816:Thermodynamics; D014255:Trichothecenes / Q000737:chemistry* / Q000633:toxicity*
chemical_list: D012709:Serum Albumin; D014255:Trichothecenes; C007262:deoxynivalenol