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   作者單位： 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： 中國化學（英文版）  SCI 英文刊名： CHINESE JOURNAL OF CHEMISTRY  年，卷(期)： 2009 27(2)  分類號： O6  關鍵詞： BAFP   human immunoglobulin   fluorescence spectroscopy   molecular modeling   Fourier transform infrared (FT-IR) spectroscopy  

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