J Med Chem. 2007 Nov 15;50(23):5848-52. Epub 2007 Oct 4.

Structures of human monoamine oxidase B complexes with selective noncovalent inhibitors: safinamide and coumarin analogs.

Binda C, Wang J, Pisani L, Caccia C, Carotti A, Salvati P, Edmondson DE, Mattevi A.

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Department of Genetics and Microbiology, University of Pavia, via Ferrata 1, Pavia, 27100 Italy.

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.

PMID:: 17915852; [PubMed - indexed for MEDLINE]

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Structures reported by this article

Structure Of Human Mao B In Complex With The Selective Inhibitor 7-(3-Chlorobenzyloxy)-4-(Methylamino)methyl- Coumarin

PDB: 2V61

Source: Homo sapiens

Method: X-Ray Diffraction

Resolution: 1.7 Å

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Structures of human monoamine oxidase B complexes with selective noncovalent inhibitors: safinamide and coumarin analogs.

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