DISCOVERY OF NEW INSECTICIDES AND REPELLENTS BY STRUCTURE-PROPERTY BASED MODELS
Mosquito and Fly Research Unit
2013 Annual Report
1a.Objectives (from AD-416):
Predict chemical structures which will lead to the discovery of novel insecticides and repellents of mosquitoes and biting flies.
1b.Approach (from AD-416):
Compounds with known insecticidal and repellent properties will be selected for modeling from the USDA database of over 30,000 tested chemicals. The subsets of chemicals will be modeled by sophisticated modern computer systems to develop quantitative structure-activity/property relationships (qsar/qspr) to define and improve mosquito and fly insecticides and repellents. Candidate insecticides and repellents will be obtained commercially, or synthesized as needed. Chemicals will be bioassayed for insecticidal and/or repellent properties.
This project is conducted in support of Objective 1. Discover and evaluate new toxicants and biological control agents for control of biting Nematocera and Objective 3. Conceive and test new methods of managing vector and pest populations through the use of behavior-altering chemicals, including repellents, attractants, and inhibitors.
Collaborative research by the University of Florida Department of Chemistry and the Mosquito and Fly Research Unit (MFRU) focused on discovering new repellents and insecticides for use against mosquitoes. Approximately 35 novel insecticides were synthesized and models were developed to relate their structure to their insecticidal potency. A manuscript was submitted and accepted for publication where approximately 77 repellents synthesized from 2008 to present were input into molecular docking models to develop a better understanding of how mosquito repellents work.