H. Waterbeemd, P. Carrupt, B. Testa
Mar 1, 1986
Citations
0
Influential Citations
32
Citations
Journal
Journal of Molecular Graphics
Abstract
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 D2 receptor and in a sodium-dependent manner). The MEPs of these compounds show close similarities and form a common pharmacophoric pattern.