Quantitative Structure Activity Relationships of Chlorinated Alicyclic Compounds.
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.
Document Details
- Document Type
- Technical Report
- Publication Date
- Mar 14, 1995
- Accession Number
- ADA293315
Entities
People
- Janice E. Chambers
Organizations
- Mississippi State University