title: Structures of human monoamine oxidase B complexes with selective noncovalent inhibitors: safinamide and coumarin analogs.
abstract: Structures of human monoamine oxidase B (MAO B) in complex with safinamide and two coumarin derivatives, all sharing a common benzyloxy substituent, were determined by X-ray crystallography. These compounds competitively inhibit MAO B with Ki values in the 0.1-0.5 microM range that are 30-700-fold lower than those observed with MAO A. The inhibitors bind noncovalently to MAO B, occupying both the entrance and the substrate cavities and showing a similarly oriented benzyloxy substituent.
authors.affiliation: Department of Genetics and Microbiology, University of Pavia, via Ferrata 1, Pavia, 27100 Italy.
authors.forename: Claudia
authors.initials: C
authors.lastname: Binda
authors.forename: Jin
authors.initials: J
authors.lastname: Wang
authors.forename: Leonardo
authors.initials: L
authors.lastname: Pisani
authors.forename: Carla
authors.initials: C
authors.lastname: Caccia
authors.forename: Angelo
authors.initials: A
authors.lastname: Carotti
authors.forename: Patricia
authors.initials: P
authors.lastname: Salvati
authors.forename: Dale E
authors.initials: DE
authors.lastname: Edmondson
authors.forename: Andrea
authors.initials: A
authors.lastname: Mattevi
mesh_terms: D000409:Alanine / Q000031:analogs & derivatives* / Q000737:chemistry; D001596:Benzylamines / Q000737:chemistry*; D003374:Coumarins / Q000737:chemistry*; D018360:Crystallography, X-Ray; D006801:Humans; D008958:Models, Molecular; D015394:Molecular Structure; D008995:Monoamine Oxidase / Q000737:chemistry*; D008996:Monoamine Oxidase Inhibitors / Q000737:chemistry*; D011485:Protein Binding
chemical_list: D001596:Benzylamines; D003374:Coumarins; D008996:Monoamine Oxidase Inhibitors; C092797:safinamide; D008995:Monoamine Oxidase; D000409:Alanine