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 related to Objective 1 of the in-house project - Discover and evaluate new toxicants and biological control agents for control of biting Nematocera.
Research efforts by the Organic Chemistry group and the Mosquito and Fly Research Unit (MFRU) consisted of bioassays of novel compounds as mosquito repellents, larvicides, and adulticides. A study of Yellow Fever mosquito repellents produced models of high accuracy in their prediction of repellent efficacy. Three Dimensional-Quantitative Structure Activity Relationships (3D-QSAR) methods were used to develop this model. Recently, there has been successful three dimensional (3D) modeling of an insecticide data set and this should produce new leads for insecticides for use against mosquitoes, flies, and other biting arthropods.
Progress is monitored through monthly reports via e-mail, meetings at MFRU held every 6 weeks, phone calls, and publication in scientific journals.