摘要
在模拟生理条件下,采用光度法和分子模拟技术研究了坦索罗辛与β-环糊精(β-CD)的相互作用。由实验所得的热力学参数ΔH<0,ΔG<0,说明坦索罗辛与β-CD发生了一个放热、自发的结合过程;由ΔH<0且ΔS<0推断二者主要靠氢键和范德华力发生作用。采用分子模拟技术对其相互作用从分子水平上进行预测,其结果与实验结果基本一致。
The interaction between tamsulosin and β-cyclodextrin(β-CD) was investigated by UV-visible spectrophotometry under the physiological conditions,combined with molecular modeling method.It was concluded that a spontaneous exothermic process produced in their reactions according to thermodynamic parameters such as ΔH 〈 0 and ΔG 〈 0.At the same time,it was concluded that tamsulosin interacted mainly with β-CD by hydrogen bond and Van Der Waals force according to thermodynamic parameters such as ΔH 〈 0 and ΔS 〈 0.Furthermore,the interaction between them was predicted from molecular level by using molecular modeling method.The results were in agreement with the experimental ones.
出处
《分析试验室》
CAS
CSCD
北大核心
2012年第8期12-14,共3页
Chinese Journal of Analysis Laboratory
基金
国家自然科学基金资助项目(20975081)
陕西省教育厅科研计划项目(11JK0656)资助
关键词
坦索罗辛
光度法
Β-环糊精
分子模拟
相互作用
Tamsulosin; Spectrophotometry; β-cyclodextrin; Molecular modeling; Interaction