Three-dimensional molecular-field analyses of octopaminergic agonists for the cockroach neuronal octopamine receptor

Akinori Hirashima, Masako Morimoto, Eiichi Kuwano, Morifusa Eto

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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.

Original languageEnglish
Pages (from-to)3753-3760
Number of pages8
JournalBioorganic and Medicinal Chemistry
Issue number17
Publication statusPublished - Aug 15 2003


All Science Journal Classification (ASJC) codes

  • Biochemistry
  • Molecular Medicine
  • Molecular Biology
  • Pharmaceutical Science
  • Drug Discovery
  • Clinical Biochemistry
  • Organic Chemistry

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