Title: | Structure-activity relationship observations for European corn borer moth pheromone and fluoro analogs via computer molecular modeling |
Author(s): | Warthen JD; Klun JA; Schwarz M; Wakabayashi N; |
Address: | "United States Department of Agriculture, Agricultural Research Service, Insect Chemical Ecology Laboratory, BARC-W, 20705, Beltsville, Maryland" |
ISSN/ISBN: | 0098-0331 (Print) 0098-0331 (Linking) |
Abstract: | "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" |
Notes: | "PubMed-not-MEDLINEWarthen, J D Klun, J A Schwarz, M Wakabayashi, N eng 1995/12/01 J Chem Ecol. 1995 Dec; 21(12):1921-30. doi: 10.1007/BF02033852" |