Structure-activity relationship observations for European corn borer moth pheromone and fluoro analogs via computer molecular modeling.
Structure-activity relationship (SAR) observations were made for theZ-type European corn borer moth pheromone, (Z)-11-tetradecen-1-ol acetate, and a series of analogs with fluorination in the alcohol portion of the molecule. The attractiveness of these analogs and the pheromone was compared to the electrostatic potential map of the molecular mechanics (MM) minimized lowest energy conformation for each compound. A critical range of electrostatic potential on the protons of the double-bond appears to be essential for optimal acceptor fit and attractiveness.
United States Department of Agriculture, Agricultural Research Service, Insect Chemical Ecology Laboratory, BARC-W, 20705, Beltsville, Maryland.
J D
JD
Warthen
J A
JA
Klun
M
M
Schwarz
N
N
Wakabayashi