Common Pharmacophore Model and 3D-QSAR Analysis of Two Different Tyrphostin Families |
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Authors: | Ning LIAO Ting Jun HOU Jia Quan WANG Chong Xi LI Xiao Jie XU |
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Abstract: | In the present study we investigated two groups of small molecular tyrosine kinascphosphory lation inhibilors (tyrphostins) with quite different structures (19 compounds of thebenzylidene malononitrile famliy and 13 compounds of the 3-substituted indolin-2-ones family).With the aid of a pharmacophore analysis method (CATALYST). a common three-dimensionalpharmacophore model to these two kinds of molecules has been discovered. A better 3D-QSARanalysis based on the generaled pharmacophore model was conducted (correlate coeffcientR-0.956) and the model shows very good predictivc ability. |
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Keywords: | Pharmacophore model.3D-QSAR tyrphostin. |
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