title: Spectroscopic investigations on the interactions between isopropanol and trypsin at molecular level.
abstract: The toxicity of hydroxyl group of isopropanol to trypsin in aqueous solution was investigated by techniques including UV-visible absorption spectroscopy, fluorescence spectroscopy, circular dichroism (CD) spectroscopy, enzyme activity assay and molecular docking technology. The results of UV-visible absorption spectroscopy and CD spectra indicate that isopropanol could change the secondary structure of trypsin by increasing the content of α-helix and decreasing the content of β-sheet. The tertiary structure of trypsin was also changed owing to the loss of environmental asymmetry of amino acid residues. Isopropanol bound into a hydrophobic cavity on the surface of trypsin by a hydrogen bond located between the hydrogen atom on the hydroxyl of isopropanol and the oxygen atoms on SER 214 and hydrophobic interaction, as the molecular docking results showed. In addition, isopropanol could affect the function of trypsin by increasing its catalytic activity.
authors: 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: Xinxin
authors: X
authors: Hu
authors: Zehua
authors: Z
authors: Yu
authors: Rutao
authors: R
authors: Liu
mesh_terms: D019840:2-Propanol / Q000737:chemistry* / Q000378:metabolism*; D000818:Animals; D002417:Cattle; D002942:Circular Dichroism; D008958:Models, Molecular; D062105:Molecular Docking Simulation; D011485:Protein Binding; D017433:Protein Structure, Secondary; D013050:Spectrometry, Fluorescence; D013056:Spectrophotometry, Ultraviolet; D014357:Trypsin / Q000737:chemistry* / Q000378:metabolism*
chemical_list: D014357:Trypsin; D019840:2-Propanol