Structure-activity relationship observations for the bagworm moth pheromone

Structure-activity relationship observations for the bagworm moth pheromone

Structure-activity relationship (SAR) observations were made for the bagworm moth pheromone, (R)-2-pentyl decanoate, and a series of analogs with modifications in the alcohol portion of the molecule. Observed attractiveness of these analogs was related to molecular structure and their physical attri...

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Bibliographic Details
Published in:Journal of chemical ecology Vol. 22; no. 7; pp. 1315 - 1324
Main Authors: WARTHEN, J. D, KLUN, J. A, DEVILBISS, E. D
Format: Journal Article
Language:English
Published: New York, NY Springer 01-07-1996
Subjects:
Animal and plant ecology
Animal, plant and microbial ecology
Animals
Autoecology
Biological and medical sciences
Fundamental and applied biological sciences. Psychology
Lepidoptera
Protozoa. Invertebrata
Psychidae
Attraction
Sex pheromone
Pest
3D imaging
Structure activity relation
Molecular structure
Arthropoda
Insecta
Lepidoptera
Invertebrata
Psychidae
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Summary:Structure-activity relationship (SAR) observations were made for the bagworm moth pheromone, (R)-2-pentyl decanoate, and a series of analogs with modifications in the alcohol portion of the molecule. Observed attractiveness of these analogs was related to molecular structure and their physical attributes using computational chemistry. Electrostatic potential and Van der Waals (VdW) electrostatic coded surface three-dimensional (3D) maps of the molecular mechanics (MM) minimized lowest energy conformation of the pheromone show that size, shape, charge distribution, and chirality of the molecule are related to attractiveness.
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ISSN:0098-0331
1573-1561
DOI:10.1007/BF02266968