Analysis of the pharmacological properties of clozapine analogues using molecular electrostatic potential surfaces

Abstract

Molecular electrostatic potential surfaces have been used to study a series of neuroleptic compounds, clozapine and clozapine analogues, with similar structures but two rather different pharmacological profiles. Using the electrostatic potential surfaces, the compounds studied could be assigned to one of two distinct categories corresponding to the two pharmacological classes. The results of this study suggest that the molecular electrostatic potential surfaces may be useful in the a priori prediction of pharmacological properties of untested clozapine analogues.