title: Monoamine oxidase inhibitors: ten years of docking studies.
abstract: The number of papers dealing with the structure-based drug design is continuously growing, which demonstrates the importance of such tools in medicinal chemistry. In the current paper, the published literature concerning the use of the ligand-protein docking methodologies in the study of the monoamine oxidase (MAO) enzymes was reviewed. Ten years of studies aimed at developing new compounds active as MAO inhibitors (MAOIs) were covered. The literature regarding thiazole, caffeine, pyrazole, chromone, indeno-pyridazin, β-carboline, indole, coumarin, anilide and amphetamine derivatives, was discussed in some detail. It is apparent that, through this computational approach, more selective and potent molecules can be proposed as inhibitors by applying precise modifications on the basic scaffold.
authors.affiliation: Dipartimento di Scienze Chimiche e Geologiche, Università degli Studi di Cagliari, Complesso Univeristario di Monserrato, S.S. 554, I-09042 Monserrato Cagliari, Italy. giulioferino@unica.it
authors.forename: Giulio
authors.initials: G
authors.lastname: Ferino
authors.forename: Santiago
authors.initials: S
authors.lastname: Vilar
authors.forename: Maria J
authors.initials: MJ
authors.lastname: Matos
authors.forename: Eugenio
authors.initials: E
authors.lastname: Uriarte
authors.forename: Enzo
authors.initials: E
authors.lastname: Cadoni
mesh_terms: D018360:Crystallography, X-Ray; D015195:Drug Design; D006801:Humans; D008958:Models, Molecular; D056004:Molecular Dynamics Simulation; D008995:Monoamine Oxidase / Q000737:chemistry / Q000378:metabolism*; D008996:Monoamine Oxidase Inhibitors / Q000737:chemistry / Q000494:pharmacology*; D013329:Structure-Activity Relationship
chemical_list: D008996:Monoamine Oxidase Inhibitors; D008995:Monoamine Oxidase