盐酸环丙沙星与胰蛋白酶相互作用的光谱和分子模拟研究  

Study on the Interaction of Ciprofloxacin Hydrochloride with Trypsin by Spectroscopic and Molecular Modeling Methods

作　　者：王公轲[1] 闫长领[1] 卢秀敏[1] 陈得军[1] 卢雁[1] 

机构地区：[1]河南师范大学化学与环境科学学院,新乡453007

出　　处：《化学学报》2009年第17期1967-1972,共6页Acta Chimica Sinica

基　　金：国家自然科学基金(No.20673034);教育部高等学校博士学科点专项科研基金(No.20060476001)资助项目

摘　　要：运用荧光光谱和紫外光谱,结合分子模拟法研究了盐酸环丙沙星(CPFX)与胰蛋白酶(Trypsin)在不同温度条件下(288,298和308K)的相互作用.研究发现CPFX对Trypsin有较强的荧光猝灭作用,且为静态猝灭类型.根据双对数方程处理荧光猝灭数据得到了CPFX与Trypsin在不同温度下的结合常数K和结合位点数n.利用紫外光谱定性讨论了CPFX对Trypsin构象的影响.通过热力学方程求得了不同温度下CPFX与Trypsin作用的热力学参数,表明它们之间的作用力主要是疏水作用和氢键,这与分子模拟方法所得的结果是一致的.The interaction between ciprofloxacin hydrochloride （CPFX） and trypsin was investigated by fluorescence and UV absorption spectroscopy and molecular modeling methods at different temperatures （288, 298 and 308 K）. Results obtained in the study indicate that CPFX has a strong ability to quench the intrinsic fluorescence of trypsin through a static quenching procedure. The fluorescence data were treated by using the double logarithmic equation, and the binding constants K of the interaction of CPFX with trypsin and the number of binding sites n were obtained. With the UV absorption spectrum, the changes of the conformation of trypsin caused by CPFX were analyzed. The thermodynamic parameters of the interaction between CPFX and trypsin at different temperatures were calculated with thermodynamic equations, which show that the binding forces between CPFX and trypsin are mainly hydrophobic interaction and hydrogen bonding. The result of molecular modeling is in good agreement with that of the thermodynamic study.

关 键 词：盐酸环丙沙星 胰蛋白酶 荧光猝灭 紫外光谱 分子模拟 

分 类 号：R96[医药卫生—药理学]