USE OF TRANSITION-STATE THEORY IN THE DEVELOPMENT OF BIOACTIVE MOLECULES.

The application of transition state theory to enzyme catalysis is presented in terms of mechanistic and energetic approaches. A hypothesis is presented that the initial binding of some insecticidal carbamates and organophosphates to acetylcholinesterase is dependent in part upon their mimicking the transition state configuration of acetylcholine. As an indication of how transition state theory could be applied to problems in agricultural chemistry, the paper presents data that some trifluoromethylketone inhibitors of insect juvenile hormone esterase(s) are transition state mimics and applies a quantitative structure-activity relationship approach to these analogs.