Quantum chemical investigation on solvation of Ginkgolides

被引：1

作者：

Chen, JZ ^{[1
]}

Chen, KX ^{[1
]}

Jiang, HL ^{[1
]}

Gu, JD ^{[1
]}

Zhu, WL ^{[1
]}

Hu, ZJ ^{[1
]}

Ji, RY ^{[1
]}

机构：

[1] Chinese Acad Sci, Shanghai Inst Mat Med, State Key Lab Drug Res, Shanghai 200031, Peoples R China

来源：

SCIENCE IN CHINA SERIES B-CHEMISTRY | 1998年 / 41卷 / 05期

基金：

中国国家自然科学基金;

关键词：

ginkgolides; solvation; quantum chemistry; PLS;

D O I：

10.1007/BF02882803

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

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.

引用

页码：494 / 503

页数：10

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