| Quantum chemical investigation on solvation of Ginkgolides |
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| 作者姓名： | 陈建忠 陈凯先 蒋华良 顾建德 朱维良 胡增建 嵇汝运 |
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| 作者单位： | State Key Laboratory of Drug Research，Shanghai Institute of Materia Medica，Chinese Academy of Sciences，Shanghai 200031，China |
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| 基金项目： | ProjectsupportedbytheNationalNaturalScienceFoundationofChina(GrantNo .2 94 0 30 2 7) |
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| 摘 要： | ＧｉｎｋｇｏｉｓａｋｉｎｄｏｆｔｒａｄｉｔｉｏｎａｌＣｈｉｎｅｓｅｈｅｒｂｓｗｈｉｃｈｈａｄｂｅｅｎｕｓｅｄｆｏｒｄｉｓｅａｓｅｔｒｅａｔｍｅｎｔｅｖｅｎｓｉｎｃｅ5000ｙｅａｒｓａｇｏｉｎＣｈｉｎａ.Ｉｎｍｏｄｅｒｎｍｅｄｉｃｉｎｅ,ｇｉｎｇｋｏｈａｓｂｅｅｎｔａｋｅｎａｓａｍｅｄｉｃｉｎｅｓｅｒｉｏｕｓｌｙｄｕｅｔｏｔｈｅｆａｃｔｔｈａｔｉｔｃａｎｂｅｕｓｅｄｔｏｔｒｅａｔａｌｏｔｏｆｄｉｓｅａｓｅｓｓｕｃｈａｓａｓｔｈｍａａｎｄｔｒａｃｈｅｉｔｉｓ.Ｐｈａｒｍａｃｏｌｏｇｉｃａｌｓｃｒｅｅｎｉ…
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| 收稿时间： | 1 February 1998 |
Quantum chemical investigation on solvation of Ginkgolides |
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| Jianzhong Chen,Kaixian Chen,Hualiang Jiang,Jiande Gu,Weiliang Zhu,Zengjian Hu,Ruyun Ji.Quantum chemical investigation on solvation of Ginkgolides[J].Science in China(Chemistry),1998,41(5):494-503. |
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| Authors: | Jianzhong Chen Kaixian Chen Hualiang Jiang Jiande Gu Weiliang Zhu Zengjian Hu Ruyun Ji |
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| Institution: | (1) State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, 200031 Shanghai, China |
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| Abstract: | 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. |
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| Keywords: | ginkgolides solvation quantum chemistry PLS |
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