药剂学中的分子动力学模拟  

Molecular Dynamics Simulations in Pharmaceutics

作　　者：王坚毅[1] 王勉[1] 

机构地区：[1]广西大学化学化工学院,广西南宁530004

出　　处：《中国医药工业杂志》2010年第11期863-868,共6页Chinese Journal of Pharmaceuticals

摘　　要：介绍了研究药剂学的新方法——分子动力学的基本原理及常用软件,及近来用其研究环糊精包合物、阳离子脂质体、含脂肪酸甘油酯的体系和聚合物载体等的案例。这些研究在分子水平上揭示载体的性质及药物与载体相互作用的本质,为改进药物传递系统提供了理论指导。分子动力学模拟将成为药剂学研究的重要补充手段。The fundamental principle of molecular dynamics,a new method to study pharmaceutics,and some commonly used softwares are introduced.The recent applications of these softwares to investigation on cyclodextrin inclusion complexes,cationic liposomes,systems containing fatty acid glyceride,polymeric carriers are reviewed.These researches revealed carriers’ properties and the interaction between the drug and carrier in the molecular level,thus providing the theoretic instruction for improving the drug delivery system.Molecular dynamic simulations would become the important compensative method for study of pharmaceutics.

关 键 词：分子动力学 环糊精包合物 阳离子脂质体 含脂肪酸甘油酯的体系 聚合物载体 综述 

分 类 号：R94[医药卫生—药剂学]