Quantitative structure-activity studies on monoamine oxidase inhibitors

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Abstract
Quantitative structure-activity studies were carried out on a series of N-isopropylaryl hydrazides which inhibits monoamine oxidase (MAO). The inhibitory potencies of these compounds on MAO correlated with the electron-withdrawing capacity of the aryl ring substituents as estimated by both empirical Hammett .sigma. constants and electronic indices from molecular orbital calculations. A general model for the inhibitor pharmacophore is proposed: potent MAO inhibitors should contain an electron-rich functional group in the plane of and approximately 5.3 .ANG. from the center of an aromatic ring; electron-withdrawing groups on the aromatic ring or replacing the phenyl ring with certain types of heterocyclic rings will tend to increase the potency.

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