title: New Insights into the Toxicity of n-Butanol to Trypsin: Spectroscopic and Molecular Docking Descriptions.
abstract: n-Butanol has been widely used and its residue exists extensively in the environment. It could lead to conformational and functional changes of trypsin by forming a complex with it. Docking method and spectrographic technique were employed to the study of the complex of trypsin and n-butanol. The fluorescence results indicated that n-butanol can form a complex with trypsin and change the distance between tryptophan and fluorescence quenchers. The conformational changes of trypsin were proved by UV-visible absorption and synchronous fluorescence spectroscopy indicating that n-butanol had little effect on the conformation of trypsin at a low concentration while denatured and coagulated the trypsin at a high concentration. The binding site was displayed by molecular modeling, which gave information about distances and binding forces between n-butanol and trypsin. The results were in accordance with spectroscopic experiments. Besides, enzyme activity assay gave the dose-response relationship of n-butanol with trypsin.
authors.affiliation: School of Environmental Science and Engineering, Shandong University, China -America CRC for Environment & Health, Jinan, 250100, People's Republic of China.
authors.forename: Rui
authors.initials: R
authors.lastname: Zhang
authors.affiliation: School of Environmental Science and Engineering, Shandong University, China -America CRC for Environment & Health, Jinan, 250100, People's Republic of China.
authors.forename: Tao
authors.initials: T
authors.lastname: Sun
authors.affiliation: School of Environmental Science and Engineering, Shandong University, China -America CRC for Environment & Health, Jinan, 250100, People's Republic of China.
authors.forename: Chunguang
authors.initials: C
authors.lastname: Liu
authors.affiliation: School of Environmental Science and Engineering, Shandong University, China -America CRC for Environment & Health, Jinan, 250100, People's Republic of China.
authors.forename: Wei
authors.initials: W
authors.lastname: Song
authors.affiliation: School of Environmental Science and Engineering, Shandong University, China -America CRC for Environment & Health, Jinan, 250100, People's Republic of China.
authors.forename: Zhaozhen
authors.initials: Z
authors.lastname: Cao
authors.affiliation: School of Environmental Science and Engineering, Shandong University, China -America CRC for Environment & Health, Jinan, 250100, People's Republic of China.
authors.forename: Rutao
authors.initials: R
authors.lastname: Liu
keywords: Molecular Docking; Spectroscopic Studies; Toxicity Assessment; Trypsin; n-Butanol