Abstract
Electric field maps of amrinone and milrinone which are well known for their inotropic activity and vasodilatory properties have been studied using a point dipole as the mapping probe. Electrostatic potential maps of the molecules are also presented. The net charge distributions in the molecules have been obtained using the MNDO molecular orbital method. The results show a prominent electric field region in milrinone extending from near the oxygen atom to near the methyl group 2.0 A above the pyridine ring plane which, in terms of the Erhardt model, may be related to the greater cardiotonic activity of this molecule in comparison to that of amrinone.
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