金银花活性成分绿原酸与不同蛋白质相互作用机制的比较分析研究  

Study on honeysuckle active ingredients and comparative analysis on their interactive mechanisms with different proteins

作　　者：郭明[1] 詹敏忠[1] 鲁小旺[1] 范文翔[1] 

机构地区：[1]浙江农林大学工程学院,浙江临安311300

出　　处：《中国中药杂志》2013年第16期2714-2720,共7页China Journal of Chinese Materia Medica

基　　金：国家自然科学基金项目(20877072);浙江省科技创新项目(2112009007)

摘　　要：目的:分析比较金银花活性成分绿原酸(chlorogenic acid,CGA)与乳铁蛋白(bovine lactoferrin,BLF)及血清白蛋白(bovine serum albumin,BSA)的分子作用机制。方法:光谱法结合计算机模拟技术测定药物与蛋白质相互作用的结合参数、能量转移参数与热力学函数,探讨分子作用机制并比较分析绿原酸与不同蛋白质的相互作用差异。结果:CGA与BLF的相互作用表现为动态分子作用机制,而CGA与BSA结合生成静态复合物,结合强度因温度不同存在一定差异;金银花活性成分与各蛋白质的结合距离r均很小,说明发生了能量转移现象;分子模建结果显示药物与蛋白质的相互作用力主要是氢键,兼有范德华力和疏水作用。结论:计算机模拟与实验测试获得了一致性结果。Objective： To analyze and compare molecular mechanisms of active ingredients of honeysuckle （ chlorogenic acid, CGA） with bovine lactoferrin （BLF） or bovine serum albumin （BSA）. Method： The spectral experiment and the computer analog technology were combined to determine the binding parameters, energy transfer parameters and thermodynamic functions between CGA and proteins, study the molecular mechanism, and compare the differences in interactive mechanism between CGA and BLF or BSA. Result： The interactive mechanism between CGA and BLF or BSA was a dynamic molecular mechanism, whereas the static quenching mechanism existed between the interaction of CGA and BSA, with differences in the bonding intensity due to difference temperature. The binding distance r between CGA and BLF/BSA was very short, indicating the phenomenon of energy transfer. The results of the molecular modeling showed that the main interaction force between CGA and BLF or BSA was hydrogen bonds, together with Van der Waals＇ forces and hydrophobic effect. Conclusion： The computer analog shows consistent results with spectral experiment.

关 键 词：绿原酸 乳铁蛋白 血清白蛋白 荧光光谱 紫外吸收光谱 分子模建 

分 类 号：R285.5[医药卫生—中药学]