Chain-elongated analogues of a pheromone component of the turnip moth, Agrotis segetum. A structure-activity study using molecular mechanics

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Chain-elongated analogues of (Z)-dec-5-enyl acetate, a pheromone component of the turnip moth, Agrotis segetum, have been studied. The conformational energies required for the analogues to mimic spatial relationships in the parent molecule, assumed to be crucial for the receptor interaction, were calculated by molecular mechanics (MM2). The calculated energies show a striking correlation with measured single-cell electrophysiological activities. The results indicate that an elongated alkyl chain is conformationally rearranged when the analogue is bound to the receptor, and that the biological activity is determined by the corresponding conformational energy.


External organisations
  • Lund University
Research areas and keywords

Subject classification (UKÄ) – MANDATORY

  • Biochemistry and Molecular Biology
  • Analytical Chemistry
Original languageEnglish
Pages (from-to)1957-1962
JournalJournal of the Chemical Society, Perkin Transactions 2
Issue number12
Publication statusPublished - 1985 Dec 1
Publication categoryResearch

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