Quantitative Structure-Activity Relationships of Chlorinated Alicyclic Compounds.
Annual rept. 1 Jan-31 Dec 92,
MISSISSIPPI STATE UNIV MISSISSIPPI STATE COLL OF VETERINARY MEDICINE
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The project, which was designed to conduct a quantitative structure- activity relationship study on a series of chlorinated alicyclic compounds a number of which are insecticides or their metabolites or degradation products was initiated, with the neurochemical characterization being conducted at Mississippi State University and the physicochemical characterization being conducted at Iowa State University. Experiments quantified the inhibitory potency of the compounds for the binding of 35S-t-butylbicyclophosphorothionate TBPS, which binds to the gamma-aminobutyric acid GABA receptor, the target for the test compounds. A wide range of potencies were discovered IC50s of 4. 2-22,734 nM, which correlated well with acute toxicity levels. NMR analysis of the compounds has been run and the molecular connectivity calculations have been initiated....Chlorinated alicyclic compounds, QSAR, GABA Receptors.