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Three-dimensional molecular-field analyses of octopaminergic agonists for the cockroach neuronal octopamine receptor
Akinori Hirashima1, Masako Morimoto, Eiichi Kuwano
1Department of Applied Genetics and Pest Management, Faculty of Agriculture, Graduate School, Kyushu University, 812-8581, Fukuoka, Japan. ahirasim@agr.kyushu-u.ac.jp
Bioorganic & Medicinal Chemistry
|August 7, 2003
Abstract:
The quantitative structure-activity relationship of a set of 40 octopaminergic agonists against receptor 2 in cockroach nervous tissue, was analyzed using molecular-field analysis (MFA). MFA on the study set of those compounds evaluated effectively the energy between a probe and a molecular model at a series of points defined by a rectangular grid. Contour surfaces for the molecular fields were presented and the results provided useful information in the characterization and differentiation of octopaminergic receptor.