Towards an identification of the pyrethroid pharmacophore. A molecular modelling study of some pyrethroid esters

Research output: Contribution to journalJournal articleResearchpeer-review

J R Byberg, Flemming Steen Jørgensen, P D Klemmensen

A molecular modelling and computer graphics study of a series of pyrethroid insecticides has been carried out. The three-dimensional arrangement of the groups essential for the biological activity (pharmacophore) has been identified for the acid and the alcohol moieties, respectively. These pharmacophores are based on the relationship between molecular structure and biological activity for a number of pyrethroid esters. The pharmacophores, which describe the relative location in space of the unsaturated systems, the dimethyl groups and the ester moiety, may be useful in the design of novel compounds with pyrethroid activity.
Original languageEnglish
JournalJournal of Computer - Aided Molecular Design
Volume1
Issue number3
Pages (from-to)181-95
Number of pages15
ISSN0920-654X
DOIs
Publication statusPublished - 1987

    Research areas

  • Binding Sites, Computer Graphics, Drug Design, Models, Molecular, Pyrethrins, Structure-Activity Relationship

ID: 38394717