Campus Units

Entomology

Document Type

Article

Publication Version

Published Version

Publication Date

2002

Journal or Book Title

Journal of Agricultural and Food Chemistry

Volume

50

Issue

16

First Page

4576

Last Page

4580

DOI

10.1021/jf0201475

Abstract

Monoterpenoids are naturally occurring compounds that are found in higher-order plants. These compounds are secondary metabolites that seem to play no major role in the metabolic functioning of the plants. One role of monoterpenoids in the plants is to defend against plant-directed pathogens, herbivores, or competing plant species. These compounds are good leads for synthesis or isolation of more effective insecticides. To accomplish these goals, we developed quantitative structure−activity relationships (QSARs) in order to predict insect toxicity of monoterpenoids and derivatives that have not yet been synthesized or experimentally tested. Correlations were found between toxicity and certain quantum and traditional chemical parameters. We found a linear relationship between LD50 values for house fly toxicity and Mulliken populations in aromatic monoterpenoids. Multiple linear regression of an E-State descriptor and a GETAWAY (GEometry, Topology and Atomic Weights AssemblY) descriptor also showed a relationship with house fly toxicity for a wide range of monoterpenoids.

Comments

Reprinted with permission from Journal of Agricultural and Food Chemistry 50 (2002): 4576, doi:10.1021/jf0201475. Copyright 2002 American Chemical Society.

Copyright Owner

American Chemical Society

Language

en

File Format

application/pdf

Included in

Entomology Commons

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