Similarities of pharmacophoric patterns revealed by the MEP of metoclopramide, molindone and piquindone, a subgroup of dopamine D-2 receptor antagonists

Abstract

Molecular electrostatic potential (MEP) calculations based on ab initio wave functions have been used to compare three compounds belonging to two distinct chemical series (substituted benzamides (metoclopramide) and indolones (piquindone and molindone)). These compounds have highly similar pharmacological properties at the receptor level (antagonists binding selectively to the dopamine D 2 receptor and in a sodium-dependent manner). The MEPs of these compounds show close similarities and form a common pharmacophoric pattern.