3D-QSAR method on indole and pyrrole inhibitors of monoamine oxidase type A

Monoamine oxidase A (MAO-A) converts norepinephrine and serotonin to an oxidative form. These monoamine neurotransmitters have important roles in depression. The MAO-A inhibitors have been discovered for neurodegenerative disease therapy. In order to design novel MAO-A inhibitors, in this study, the quantitative structure-activity relationships for the combined series of indoles and pyrroles were elucidated and the structural conditions to show good inhibitory effects on MAO-A were derived. This result can help us design new inhibitors irrespective of their specific moiety.