Campus Units

Entomology

Document Type

Article

Publication Version

Accepted Manuscript

Publication Date

8-2012

Journal or Book Title

Pest Management Science

Volume

68

Issue

8

First Page

1122

Last Page

1129

DOI

10.1002/ps.3280

Abstract

BACKGROUND: Monoterpenoids are a large group of plant secondary metabolites. Many of these naturally occurring compounds have shown good insecticidal potency on pest insects. Previous studies in this laboratory have indicated that some monoterpenoids have positive modulatory effects on insect GABA receptors. In this study, the key properties of monoterpenoids involved in monoterpenoid binding activity at the housefly GABA receptor were determined by developing quantitative structure-activity relationship (QSAR) models, and the relationship between the toxicities of these monoterpenoids and their GABA receptor binding activities was evaluated.

RESULTS: Two QSAR models were determined for nine monoterpenoids showing significant effects on [3H]-TBOB binding and for nine p-menthane analogs with at least one oxygen atom attached to the ring. The Mulliken charges on certain carbon atoms, the log P value and the total energy showed significant relationships with binding activities to the housefly GABA receptor in these two QSAR models.

CONCLUSIONS: From the QSAR models, some chemical and structural parameters, including the electronic properties, hydrophobicity and stability of monoterpenoid molecules, were suggested to be strongly involved in binding activities to the housefly GABA receptor. These findings will help to understand the mode of action of these natural insecticides, and provide guidance to predict more monoterpenoid insecticides. Copyright © 2012 Society of Chemical Industry

Comments

This is the peer reviewed version of the following article in Pest Management Science, August 2012, 68(8); 1122-1129., which has been published in final form at doi:10.1002/ps.3280. This article may be used for non-commercial purposes in accordance with Wiley Terms and Conditions for Self-Archiving."

Copyright Owner

Society of Chemical Industry

Language

en

File Format

application/pdf

Published Version

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