布洛芬与环糊精的主-客体相互作用  

Host-Guest Interaction of Ibuprofen with Cyclodextrin

作　　者：张骞[1] 邢生凯[1] 孙得志[1] 张翀[1] 刘杰[1] 

机构地区：[1]聊城大学化学化工学院,山东聊城252059

出　　处：《化学通报》2009年第7期665-668,共4页Chemistry

基　　金：山东省自然科学基金项目(2004ZX15);聊城大学科研基金项目(X061010)资助

摘　　要：在298.15K下,用滴定式微量热法研究了布洛芬分别与α-、β-、γ-环糊精在Tris-HCl缓冲溶液(pH=7.0)中的包合作用。实验测得了布洛芬-环糊精包合物的实验稳定常数、形成过程的标准焓变、标准吉布斯自由能变及标准熵变等热力学参数。结果表明:布洛芬与α-、β-环糊精的包合过程是焓、熵协同驱动的过程,而γ-环糊精与该药物包合则是熵驱动的。此外,B3LYP/6-31G*//PM3方法用来模拟布洛芬与环糊精的包合过程,计算结果表明布洛芬分子的憎水部分更易于从大口进入环糊精分子的空腔。Inclusion interactions of three cyclodextrins with ibuprofen in Tris-HCl buffer solutions （pH = 7.0） have been investigated using isothermal titration microcalorimetry at 298.15K. The thermodynamic parameters of the cyclodextrin inclusion compounds with ibuprofen are determined. The results indicate that inclusion processes of α- , β- cyclodextrins with ibuprofen are enthalpy and entropy co-driven, while eomplexation of γ- eyclodextrin with ihuprofen is entropy driven. A theoretical study on the inclusion processes between ibuprefen and cyelodextrins have been performed with B3LYP/6-31G^＊// PM3 method to investigate the formation mechanism of the inclusion complexes. The results suggest that the hydrophobic part of ibuprefen molecule is inclined to enter the cavity of eyelodextrin molecules from the wide side than the narrow side.

关 键 词：布洛芬 环糊精 微量热 主-客体包合物 PM3 

分 类 号：R94[医药卫生—药剂学]