title: Exploring the interactions of decabrominateddiphenyl ether and tetrabromobisphenol A with human serum albumin.
abstract: Decabrominateddiphenyl ether (deca-BDE) and tetrabromobisphenol A (TBBPA) are known as brominated flame-retardants, which are commonly found in the environment. The binding mechanisms of deca-BDE and TBBPA with human serum albumin (HSA) are still unknown. In this report, the interactions of deca-BDE and TBBPA with HSA were investigated using different spectroscopic methods and molecular modeling. The experimental results indicated the formation of complexes between deca-BDE/TBBPA and HSA with different affinity. These interactions affected the secondary structure of HSA. Thermodynamic investigations revealed that hydrophobic forces mainly drove the binding interactions of deca-BDE/TBBPA with HSA. For TBBPA, hydrogen-bonding interactions were also involved in the binding process of TBBPA with HSA. According to the analysis of experimental and theoretical data, we concluded that the binding site of deca-BDE to HSA located in the subdomain IB, while TBBPA was near to subdomain IIA and Trp-214. The binding interactions of deca-BDE and TBBPA with the most prominent carrier protein in the human circulatory system could influence mechanisms of their biochemical processes. Thus, these binding interactions can play central roles in studying the distribution and toxicity mechanisms of brominated flame-retardants.
authors.affiliation: Jiangsu Provincial Key Laboratory of Coastal Wetland Bioresources and Environmental Protection, Yancheng City, Jiangsu Province 224002, People's Republic of China; Institute of Applied Chemistry and Environmental Engineering, Yancheng Teachers University, Yancheng City, Jiangsu Province 224002, People's Republic of China. Electronic address: wyqing76@126.com.
authors.forename: Yan-Qing
authors.initials: YQ
authors.lastname: Wang
authors.affiliation: Jiangsu Provincial Key Laboratory of Coastal Wetland Bioresources and Environmental Protection, Yancheng City, Jiangsu Province 224002, People's Republic of China; Institute of Applied Chemistry and Environmental Engineering, Yancheng Teachers University, Yancheng City, Jiangsu Province 224002, People's Republic of China.
authors.forename: Hong-Mei
authors.initials: HM
authors.lastname: Zhang
authors.affiliation: Jiangsu Provincial Key Laboratory of Coastal Wetland Bioresources and Environmental Protection, Yancheng City, Jiangsu Province 224002, People's Republic of China; Institute of Applied Chemistry and Environmental Engineering, Yancheng Teachers University, Yancheng City, Jiangsu Province 224002, People's Republic of China.
authors.forename: Jian
authors.initials: J
authors.lastname: Cao
mesh_terms: D001665:Binding Sites; D002942:Circular Dichroism; D005411:Flame Retardants / Q000378:metabolism / Q000633:toxicity*; D055768:Halogenated Diphenyl Ethers / Q000737:chemistry / Q000378:metabolism / Q000633:toxicity*; D006801:Humans; D006860:Hydrogen Bonding; D062105:Molecular Docking Simulation; D011075:Polybrominated Biphenyls / Q000378:metabolism / Q000633:toxicity*; D011485:Protein Binding; D017433:Protein Structure, Secondary; D012709:Serum Albumin / Q000737:chemistry* / Q000378:metabolism*
chemical_list: D005411:Flame Retardants; D055768:Halogenated Diphenyl Ethers; D011075:Polybrominated Biphenyls; D012709:Serum Albumin; C020806:tetrabromobisphenol A; C010902:decabromobiphenyl ether
keywords: Binding interaction; Brominated flame-retardants; Decabrominateddiphenyl ether; Human serum albumin; Tetrabromobisphenol A