Quantum chemical investigation on solvation of Ginkgolides  

作　　者：陈建忠 陈凯先 蒋华良 顾建德 朱维良 胡增建 嵇汝运 

出　　处：《Science China Chemistry》1998年第5期494-503,共10页中国科学（化学英文版）

基　　金：ProjectsupportedbytheNationalNaturalScienceFoundationofChina(GrantNo .2 94 0 30 2 7)

摘　　要：Great attention has been paid to ginkgolides in modem medical science due to their special medicinal functions. Ginkgolides can be used to treat asthma and tracheitis, etc. Pharmacological studies indicated that ginkgolides are potent antagonists of platelet activating factor (PAF). We have calculated the molecular structures and electronic structures of ginkgolides in hexadecane solution and aqueous solution with AM1 -SM1 method. The results provided a model of hydrophobicity and hydrogen bonds for ginkgolides interacting with PAF.Great attention has been paid to ginkgolides in modern medical science due to their special medicinal functions. Ginkgolides can be used to treat asthma and tracheitis, etc. Pharmacological studies indicated that ginkgolides are potent antagonists of platelet activating factor (PAF). We have calculated the molecular structures and electronic structures of ginkgolides in hexadecane solution and aqueous solution with AM1\|SM1 method. The results provided a model of hydrophobicity and hydrogen bonds for ginkgolides interacting with PAF.

关 键 词：GINKGOLIDES SOLVATION QUANTUM CHEMISTRY PLS. 

分 类 号：O641.121[理学—物理化学]