光谱和分子模拟研究槲皮素与溶菌酶的相互作用
首发时间:2009-05-14
摘要:本文在模拟动物体生理条件下,利用荧光光谱、同步荧光光谱、紫外光谱和分子模拟方法研究了不同温度下槲皮素(QCT)与溶菌酶(LYSO)之间的相互作用。结果表明,静态猝灭和非辐射能量转移是导致QCT对LYSO荧光猝灭的主要原因。通过计算热力学参数, 可知该药物与卵清蛋白的相互作用是一个吉布斯自由能降低的自发过程, 并由此推断QCT对LYSO之间的作用力是以疏水作用为主。分子模拟研究表明,QCT与LYSO的相互作用不仅存在疏水作用,而且有氢键作用。可及表面积计算表明参与反应的色氨酸残基是Trp 108。
关键词: 溶菌酶(LYSO) 槲皮素(QCT) 荧光光谱 紫外光谱 分子模拟
For information in English, please click here
Study on the interaction of quercetin with lysozyme
Abstract:The interaction of quercetin (QCT) and lysozyme (LYSO) was investigated by fluorescence spectroscopy, synchronous fluorescence spectroscopy, ultraviolet spectroscopy and modeling under physiologic conditions. The experimental results showed that static quenching and non-radiation energy transfer were the main reasons for the fluorescence quenching process .Thermodynamic data showed that the process of binding was a spontaneous molecular interaction. In the process entropy increase and Gibbs free energy decrease, which indicate that the interaction of QCT and OVA is driven mainly by hydrophobic force.Furthermore, the study of molecular modeling indicates that QCT could strongly bind to LYSO mainly by a hydrophobic interaction and there also are hydrogen bond interactions between QCT and LYSO. ASA calculation indicate that Trp 108 is the interaction size of LYSO in the quenching of fluorescence
Keywords: Lysozyme Quercetin Fluorescence spectroscopy UV spectroscopy Molecular modeling
论文图表:
引用
No.3222146908112422****
同行评议
共计0人参与
勘误表
光谱和分子模拟研究槲皮素与溶菌酶的相互作用
评论
全部评论0/1000