title: Proposed structural basis of interaction of piperine and related compounds with monoamine oxidases.
abstract: Several studies have revealed piperine and a few related compounds as potent inhibitors of monoamine oxidases without delineating the underlying mechanism. Using in silico modelling, we propose a structural basis of such activity by showing that these compounds can successfully dock into the inhibitor binding pockets of human monoamine oxidase isoforms with predicted affinities comparable to some known inhibitors. The results therefore suggest that piperine can be a promising lead for developing novel monoamine oxidase inhibitors.
authors.affiliation: Department of Pharmacology, Tennis Court Road, University of Cambridge, CB2 1PD, United Kingdom.
authors.forename: Taufiq
authors.initials: T
authors.lastname: Rahman
authors.forename: Mohammed
authors.initials: M
authors.lastname: Rahmatullah
mesh_terms: D000470:Alkaloids / Q000737:chemistry*; D000818:Animals; D052117:Benzodioxoles / Q000737:chemistry*; D001665:Binding Sites; D001921:Brain / Q000201:enzymology; D003198:Computer Simulation; D015195:Drug Design; D006801:Humans; D051379:Mice; D008995:Monoamine Oxidase / Q000737:chemistry* / Q000378:metabolism; D008996:Monoamine Oxidase Inhibitors / Q000737:chemistry* / Q000494:pharmacology; D010880:Piperidines / Q000737:chemistry*; D053284:Polyunsaturated Alkamides / Q000737:chemistry*; D051381:Rats; D013329:Structure-Activity Relationship
chemical_list: D000470:Alkaloids; D052117:Benzodioxoles; D008996:Monoamine Oxidase Inhibitors; D010880:Piperidines; D053284:Polyunsaturated Alkamides; D008995:Monoamine Oxidase; C008922:piperine