title: The interaction between 4-aminoantipyrine and bovine serum albumin: multiple spectroscopic and molecular docking investigations.
abstract: 4-Aminoantipyrine (AAP) is widely used in the pharmaceutical industry, in biochemical experiments and in environmental monitoring. AAP as an aromatic pollutant in the environment poses a great threat to human health. To evaluate the toxicity of AAP at the protein level, the effects of AAP on bovine serum albumin (BSA) were investigated by multiple spectroscopic techniques and molecular modeling. After the inner filter effect was eliminated, the experimental results showed that AAP effectively quenched the intrinsic fluorescence of BSA via static quenching. The number of binding sites, the binding constant, the thermodynamic parameters and binding subdomain were measured, and indicated that AAP could spontaneously bind with BSA on subdomain IIIA through electrostatic forces. Molecular docking results revealed that AAP interacted with the Glu 488 and Glu 502 residues of BSA. Furthermore, the conformation of BSA was demonstrably changed in the presence of AAP. The skeletal structure of BSA loosened, exposing internal hydrophobic aromatic ring amino acids and peptide strands to the solution.
authors.affiliation: Shandong Key Laboratory of Water Pollution Control and Resource Reuse, School of Environmental Science and Engineering, Shandong University, China-America CRC for Environment & Health, Shandong Province, 27# Shanda South Road, Jinan 250100, PR China.
authors.forename: Yue
authors.initials: Y
authors.lastname: Teng
authors.forename: Rutao
authors.initials: R
authors.lastname: Liu
authors.forename: Chao
authors.initials: C
authors.lastname: Li
authors.forename: Qing
authors.initials: Q
authors.lastname: Xia
authors.forename: Pengjun
authors.initials: P
authors.lastname: Zhang
mesh_terms: D000675:Ampyrone / Q000737:chemistry / Q000633:toxicity*; D000818:Animals; D002417:Cattle; D003198:Computer Simulation; D008958:Models, Molecular; D011485:Protein Binding; D011487:Protein Conformation; D012710:Serum Albumin, Bovine / Q000737:chemistry / Q000378:metabolism*; D013057:Spectrum Analysis; D018675:Toxicity Tests
chemical_list: D000675:Ampyrone; D012710:Serum Albumin, Bovine