Journal
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
Volume 108, Issue -, Pages 50-54Publisher
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.saa.2013.01.072
Keywords
Trypsin; Isopropanol; Spectroscopy; Molecular docking; Structure and function
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Funding
- NSFC [21277081]
- Cultivation Fund of the Key Scientific and Technical Innovation Project, Ministry of Education of China [708058]
- Independent innovation program of Jinan [201202083]
- Independent innovation foundation of Shandong University natural science projects [2012DX002]
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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 alpha-helix and decreasing the content of beta-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. (c) 2013 Elsevier B.V. All rights reserved.
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