title: The interaction of perfluorooctane sulfonate with hemoglobin: Influence on protein stability.
abstract: Perfluorooctane sulfonate (PFOS) is among the most prominent xenobiotics contaminants in human blood. To evaluate the toxicity of PFOS at the protein level, the influences of PFOS on the stability and conformation of hemoglobin (Hb) has been investigated by circular dichroism (CD), UV-vis, and fluorescence spectroscopic methods and molecular modeling. CD spectral data indicated that the binding process of PFOS with Hb induced the relatively large changes in secondary structure of protein. Thermal denaturation of Hb, when carried out in the presence of PFOS, also indicated that PFOS acted as a structure destabilizer for protein. UV-vis, and fluorescence spectroscopic data indicated that the tertiary structures of Hb were also changed by PFOS binding. Hb did undergo significant changes in the heme group symmetry, implying that the functions of Hb could be disturbed by PFOS. In addition, molecular modeling study shows that PFOS could enter into the binding cavity of Hb by many noncovalent interactions. Overall, these data provide a mechanist explanation for the longer biological half-life of PFOS in human blood and provide useful information that could be associated with the toxicity of PFOS.
authors.affiliation: 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: Yanqing
authors.initials: Y
authors.lastname: Wang
authors.affiliation: Institute of Applied Chemistry and Environmental Engineering, Yancheng Teachers University, Yancheng City, Jiangsu Province, 224002, People's Republic of China.
authors.forename: Hongmei
authors.initials: H
authors.lastname: Zhang
authors.affiliation: College of Marine and Bio-engineering, Yancheng Teachers University, Yancheng City, Jiangsu Province, 224002, People's Republic of China.
authors.forename: Yijun
authors.initials: Y
authors.lastname: Kang
authors.affiliation: Institute of Applied Chemistry and Environmental Engineering, Yancheng Teachers University, Yancheng City, Jiangsu Province, 224002, People's Republic of China.
authors.forename: Zhenghao
authors.initials: Z
authors.lastname: Fei
authors.affiliation: Institute of Applied Chemistry and Environmental Engineering, Yancheng Teachers University, Yancheng City, Jiangsu Province, 224002, People's Republic of China. Electronic address: yctu_caojian@126.com.
authors.forename: Jian
authors.initials: J
authors.lastname: Cao
mesh_terms: D017738:Alkanesulfonic Acids / Q000737:chemistry / Q000378:metabolism*; D001665:Binding Sites; D002942:Circular Dichroism; D005466:Fluorocarbons / Q000737:chemistry / Q000378:metabolism*; D006207:Half-Life; D006454:Hemoglobins / Q000737:chemistry / Q000378:metabolism*; D006801:Humans; D062105:Molecular Docking Simulation; D011485:Protein Binding; D055550:Protein Stability; D017433:Protein Structure, Secondary; D017434:Protein Structure, Tertiary; D013056:Spectrophotometry, Ultraviolet; D013816:Thermodynamics; D044366:Transition Temperature
chemical_list: D017738:Alkanesulfonic Acids; D005466:Fluorocarbons; D006454:Hemoglobins; C076994:perfluorooctane sulfonic acid
keywords: Binding interaction; Denaturation; Hemoglobin; Perfluorooctane sulfonate; Toxicological evaluation