Accession Number : ADA293315

Title :   Quantitative Structure Activity Relationships of Chlorinated Alicyclic Compounds.

Descriptive Note : Final rept. 1 Jul 91-31 Oct 94,

Corporate Author : MISSISSIPPI STATE UNIV MISSISSIPPI STATE COLL OF VETERINARY MEDICINE

Personal Author(s) : Chambers, Janice E.

PDF Url : ADA293315

Report Date : 14 MAR 1995

Pagination or Media Count : 35

Abstract : A quantitative structure-activity relationship study was performed on 33 chlorinate alicyclic compounds, most of which are chlorinated cyclodiene insecticides or their structural analogs. Their action on the t-butylbicyclophosphorothionate (TBPS) binding site of the gammaaminobutyric acid (GABA) receptor/chloride ionophore complex is being correlated with their lipophilicity, electronegativity and/or molecular connectivity characteristics. The biological parameters were investigate at Mississippi State University. The in vitro potency of the test compounds to compete with 33S tbps for binding to rat brain membranes was studied. Also the potency of the test compounds to inhibit 36Cl-flux into rat brain vesicles is being studied. The three chemical parameters were investigated at Iowa State University. Nuclear magnetic resonance was used to evaluate the electronic character of the alicyclic hydrocarbons being studied. Partition coefficients were determined for the series of compounds. Topological characteristics were elucidated using molecular connectivity indices.

Descriptors :   *TOXICITY, *INSECTICIDES, *METABOLITES, *ACIDS, ELECTRONICS, NUCLEAR MAGNETIC RESONANCE, DEGRADATION, BIOLOGY, BRAIN, RATS, CHEMICALS, PARAMETERS, STRUCTURAL PROPERTIES, SITES, IN VITRO ANALYSIS, TOPOLOGY, COEFFICIENTS, MEMBRANES, ANALOGS, POTENCY, MISSISSIPPI.

Subject Categories : Biochemistry
      Pharmacology

Distribution Statement : APPROVED FOR PUBLIC RELEASE