引用本文:
Ning LIAO, Ting Jun HOU, Jia Quan WANG, Chong Xi LI, Xiao Jie XU. Common Pharmacophore Model and 3D-QSAR Analysis of Two Different Tyrphostin Families[J]. Chinese Chemical Letters,
1999, 10(9): 755-758.
Citation: Ning LIAO, Ting Jun HOU, Jia Quan WANG, Chong Xi LI, Xiao Jie XU. Common Pharmacophore Model and 3D-QSAR Analysis of Two Different Tyrphostin Families[J]. Chinese Chemical Letters, 1999, 10(9): 755-758.
Citation: Ning LIAO, Ting Jun HOU, Jia Quan WANG, Chong Xi LI, Xiao Jie XU. Common Pharmacophore Model and 3D-QSAR Analysis of Two Different Tyrphostin Families[J]. Chinese Chemical Letters, 1999, 10(9): 755-758.
Common Pharmacophore Model and 3D-QSAR Analysis of Two Different Tyrphostin Families
摘要:
In the present study we investigated two groups of small molecular tyrosine kinase phosphorylation inhibitors (tyrphostins) with quite different structures(19 compounds of the bcnivlidenc maiononitrile famliy and 13 compounds of the 3-substituted indolin-2-ones family) With the aid of a pharmacophore analysis method (CATALYST). a common three-dimensional pharmacophore model to these two kinds of molecules has been discovered. A better 3D-QSAR analysis based on the generated pharmacophore model was conducted (correaate coeffcient R=0.9561 and the model shows very good predictive ability.
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关键词:
- Pharmacophore model
- / 3D-QSAR
- / tyrphostin
English
Common Pharmacophore Model and 3D-QSAR Analysis of Two Different Tyrphostin Families
Abstract:
In the present study we investigated two groups of small molecular tyrosine kinase phosphorylation inhibitors (tyrphostins) with quite different structures(19 compounds of the bcnivlidenc maiononitrile famliy and 13 compounds of the 3-substituted indolin-2-ones family) With the aid of a pharmacophore analysis method (CATALYST). a common three-dimensional pharmacophore model to these two kinds of molecules has been discovered. A better 3D-QSAR analysis based on the generated pharmacophore model was conducted (correaate coeffcient R=0.9561 and the model shows very good predictive ability.
-
Key words:
- Pharmacophore model
- / 3D-QSAR
- / tyrphostin
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