Interaction Study of 2,6-Bis[4-(4-amino-2-trifluoromethyl phenoxy)benzoyl] Pyridine with Human Immunoglobulin by Optical
The interaction between human immunoglobulin (HIgG) and BAFP (2,6-bis[4-(4-amino-2-trifluoromethyl phenoxy)benzoyl] pyridine was studied by fluorescence quenching, Fourier transform infrared (FT-IR) spectra and molecule modeling. The synchronous fluorescence spectra indicated the information on qualitative changes of the pro-tein secondary structure in the presence of BAFP in aqueous solution. The quantitative alterations of the protein sec-ondary structure were estimated by the evidences from FT-IR spectra with increases of α helices by about 2.6%-10.2%, increases of β-sheet structure by about 13.6%-27.7%, and reductions of β-turn structure by about 23.8%-30.3%. Molecular docking suggests that BAFP can strongly bind to HIgG. There are four hydrogen bond interac-tions between the drug and the residues Trp 170, Val 105, Met 139 and Asn 52. It was also considered that BAFP bound to HIgG mainly by a hydrophobic interaction, which is in good agreement with the results from the experi-mental thermodynamic parameters (the enthalpy change △Hθ and the entropy change △Sθ were calculated to be-6.70 kJ·mol-1 and 71.93 J·mol-1·K-1,respectively, according to the Van't Holf equation).
作 者： HE Wenying ZHANG Qiongmei GAO Wenhua DONG Yuming YAO Xiaojun 作者单位： HE Wenying,ZHANG Qiongmei(Department of Chemistry,Hainan Normal University,Haikou,Hainan 571158,China)GAO Wenhua(Department of Chemistry,Shantou University,Shantou,Guangdong 515063,China)
DONG Yuming,YAO Xiaojun(Department of Chemistry,Lanzhou University,Lanzhou,Gansu 730000,China)
刊 名： 中国化学（英文版） SCI 英文刊名： CHINESE JOURNAL OF CHEMISTRY 年，卷(期)： 2009 27(2) 分类号： O6 关键词： BAFP human immunoglobulin fluorescence spectroscopy molecular modeling Fourier transform infrared (FT-IR) spectroscopy