title: Characterization of the interaction between nitrofurazone and human serum albumin by spectroscopic and molecular modeling methods.
abstract: The interaction of nitrofurazone (NF) and human serum albumin (HSA) has been studied by fluorescence spectroscopy, FT-IR spectroscopy and molecular modeling methods. The results showed that the fluorescence of HSA was quenched by NF in a static quenching mechanism. Thermodynamic parameters revealed that hydrogen bonds and van der Waals force played the major role during the interaction. The calculated binding distance (r) indicated that the non-radioactive energy transfer came into being in the interaction between NF and HSA. HSA had a single class of binding site at Sudlow' site I in subdomain IIA for NF, which was verified by the displacement experiment. The molecular modeling study further confirmed the specific binding sites of NF on HSA, such as the interaction between N11 and N14 of NF with Lue 283 and Ser 287 predominately through hydrogen bonds. Three-dimensional fluorescence spectra indicated that the polarity around the tryptophan residues decreased and the conformation of HSA changed after adding NF. FT-IR spectra showed that NF could induce the polypeptides of HSA unfolding because it changed α-helix and β-sheet into β-turn and random structure of HSA.
authors.affiliation: College of Life and Environmental Science, Minzu University of China, Beijing 100081, People's Republic of China.
authors.forename: Fengyu
authors.initials: F
authors.lastname: Deng
authors.forename: Chengyu
authors.initials: C
authors.lastname: Dong
authors.forename: Ying
authors.initials: Y
authors.lastname: Liu
mesh_terms: D001665:Binding Sites; D004735:Energy Transfer; D006801:Humans; D006860:Hydrogen Bonding; D007700:Kinetics; D008958:Models, Molecular; D009583:Nitrofurazone / Q000737:chemistry / Q000378:metabolism*; D011485:Protein Binding; D017433:Protein Structure, Secondary; D017434:Protein Structure, Tertiary; D012709:Serum Albumin / Q000737:chemistry / Q000378:metabolism*; D013050:Spectrometry, Fluorescence / Q000379:methods*; D017550:Spectroscopy, Fourier Transform Infrared / Q000379:methods*; D013816:Thermodynamics
chemical_list: D012709:Serum Albumin; D009583:Nitrofurazone