Three Dimensional Pharmacophore Modelling of Monoamine oxidase-A (MAO-A) inhibitors

Abstract: Flavoprotein monoamine oxidase is located on the outer membrane of mitochondria. It catalyzes oxidative deamination of monoamine neurotransmitters such as serotonin, norepinephrine and dopamine and hence is a target enzyme for antidepressant drugs. MAO (mono amine oxidase) has two isoforms, namely MAO-A and MAO-B. MAO-A isoform has higher affinity for serotonin and norepinephrine, while; MAO-B preferentially deaminates phenylethylamine and benzylamine. These important properties determine the clinical importance of MAO inhibitors. Selective MAO-A inhibitors are used in the treatment of neurological disorders such as depression. In this article we have developed a Hypogen pharmacophore for a set of 64 coumarin analogs and tried to analyze the intermolecular H-bonds with receptor structure.