Three-dimensional molecular field analyses of octopaminergic agonists and antagonists for the locust neuronal octopamine receptor class 3

Akinori Hirashima, Takumi Nagata, Canping Pan, Eiichi Kuwano, Eiji Taniguchi, Morifusa Eto

Research output: Contribution to journalArticle

5 Citations (Scopus)

Abstract

The quantitative structure-activity relationship (QSAR) of a set of 70 octopaminergic agonists and 20 antagonists against octopamine receptor class 3 (OAR3) in locust nervous tissue was analyzed by molecular field analysis (MFA). MFA of these 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 are presented. These results provide useful information in the characterization and differentiation of octopaminergic receptor types and subtypes. (C) 2000 by Elsevier Science Inc.

Original languageEnglish
Pages (from-to)198-206
Number of pages9
JournalJournal of Molecular Graphics and Modelling
Volume17
Issue number3-4
DOIs
Publication statusPublished - Jun 1 1999

All Science Journal Classification (ASJC) codes

  • Spectroscopy
  • Physical and Theoretical Chemistry
  • Computer Graphics and Computer-Aided Design
  • Materials Chemistry

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