Abstract
The electrostatic potentials of five drugs targetting dopamine receptors were calculated on the molecular surface, or the solvent-accessible surface, using Cartesian coordinates and Mulliken net atomic charges obtained by the use of semi-empirical molecular orbital method, modified neglect of diatomic overlap. All of these electrostatic potential images, which were represented by color-coded graphics, showed the interesting feature that a positive potential region exists on one side of the molecular surface. This may reflect the specific orientation of the drug molecules for binding to dopamine receptors, which presumably show electrostatic and topographic complementarity.
