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KMID : 0370220110550020098
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Yakhak Hoeji
2011 Volume.55 No. 2 p.98 ~ p.105
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3D-QSAR Analysis on Antidepressant Activity of Tricyclic Isoxazole Analogues against Medetomidine-induced Loss of Righting
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Choi Min-Sung
Sung Nack-Do
Myung Pyung-Keun
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Abstract
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To search the minimum structural requirement of tricyclic isoxazole analogues (1~30) as new class potent antidepressant, thee-dimensional quanti- tative-structure relationship (3D-QSAR) models between substituents (R1~R5) of tricyclic isoxazoles and their antidepressant activity against medetomidine-induced loss of righting were performed and discussed quantitatively using comparative molecular field analysis (CoMFA) and comparative molecular similarity indies analysis (CoMSIA) methods. The correlativity and predictability (r²=0.484 and g²=0.947) of CoMSIA-2 model were higher than those of the rest models. The inhibitory activity against medetomidine-induced loss of righting was dependent on electrostatic field (43.4%), hydrophobic field (35.3%), and steric field (21.2%) of tricyclic isoxazoles. From the CoMSIA-2 contour maps, it is predicted that the antidepressant activity of potent antidepressants against medetomidine-induced loss of righting will be able to increase by the substituents (R1~R5) which were in accord with CoMSIA field.
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KEYWORD
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tricyclic isoxazoles, medetomidine-induced loss of righting, antidepressant activity, 3D-QSAR
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