QUANTUM CHEMICAL STUDY OF ELECTRONIC-STRUCTURE AND RECEPTOR-BINDING IN OPIATES

Abstract

A Quantitative Structure-Activity Relationship study for a group of opiates interacting with the mu receptor was carried out. The study consisted in searching a relationship between the drug-receptor equilibrium constant and steric/ electronic structure factors. Several equations were obtained and analyzed. It is possible to conclude from this study that if all the experimental values correspond only to the interaction with the mu receptor, then the hypothesis of a comben skeleton interacting with the mu receptor cannot be supported.