Three-dimensional molecular-field analyses of octopaminergic agonists for the cockroach neuronal octopamine receptor |
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Authors: | Hirashima Akinori Morimoto Masako Kuwano Eiichi Eto Morifusa |
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Affiliation: | Department of Applied Genetics and Pest Management, Faculty of Agriculture, Graduate School, Kyushu University, 812-8581, Fukuoka, Japan. ahirasim@agr.kyushu-u.ac.jp |
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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. |
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