title: Synthesis, Biological Evaluation, and Molecular Simulation of Chalcones and Aurones as Selective MAO-B Inhibitors.
abstract: A series of chalcones and aurones were synthesized and evaluated in vitro as monoamine oxidase inhibitors (MAOi). Our results show that aurones, which had not been previously reported as MAOi, are MAO-B inhibitors. Thus, both families inhibited selectively the B isoform of MAO in the micromolar range, offering novel scaffolds for the design of new and potent MAO inhibitors. The main structural requirements for their activity were characterized with the aid of 3D-QSAR and docking studies.
authors.affiliation: Departamento de Química Orgánica, Facultad de Química, Pontificia Universidad Católica de Chile, Santiago de Chile, 702843, Chile.
authors.forename: Nicole
authors.initials: N
authors.lastname: Morales-Camilo
authors.affiliation: Departamento de Química Orgánica, Facultad de Química, Pontificia Universidad Católica de Chile, Santiago de Chile, 702843, Chile.
authors.forename: Cristian O
authors.initials: CO
authors.lastname: Salas
authors.affiliation: Escuela de Medicina, Facultad de Ciencias Médicas, Universidad de Santiago, Casilla 442, Correo 2, Santiago, Chile.
authors.forename: Claudia
authors.initials: C
authors.lastname: Sanhueza
authors.affiliation: Departamento de Química Orgánica, Facultad de Química, Pontificia Universidad Católica de Chile, Santiago de Chile, 702843, Chile.
authors.forename: Christian
authors.initials: C
authors.lastname: Espinosa-Bustos
authors.affiliation: Escuela de Medicina, Facultad de Ciencias Médicas, Universidad de Santiago, Casilla 442, Correo 2, Santiago, Chile.
authors.forename: Silvia
authors.initials: S
authors.lastname: Sepúlveda-Boza
authors.affiliation: Escuela de Medicina, Facultad de Ciencias Médicas, Universidad de Santiago, Casilla 442, Correo 2, Santiago, Chile.|Facultad de Ciencias de la Salud, Universidad Autónoma de Chile, Santiago 8910124, Chile.
authors.forename: Miguel
authors.initials: M
authors.lastname: Reyes-Parada
authors.affiliation: Universidad Andrés Bello, Facultad de Ciencias Biológicas, Centro de Bioinformática y Biología Integrativa, Santiago 8370146, Chile.
authors.forename: Fernando
authors.initials: F
authors.lastname: Gonzalez-Nilo
authors.affiliation: Departamento de Química de los Materiales, Facultad de Química y Biología, Universidad de Santiago de Chile, Casilla 40, Correo 33, Santiago, 9170022, Chile.
authors.forename: Marcos
authors.initials: M
authors.lastname: Caroli-Rezende
authors.affiliation: Departamento de Química Orgánica, Facultad de Química, Pontificia Universidad Católica de Chile, Santiago de Chile, 702843, Chile.
authors.forename: Angélica
authors.initials: A
authors.lastname: Fierro
mesh_terms: D001572:Benzofurans / Q000138:chemical synthesis / Q000737:chemistry* / Q000494:pharmacology*; D047188:Chalcones / Q000138:chemical synthesis / Q000737:chemistry* / Q000494:pharmacology*; D006801:Humans; D062105:Molecular Docking Simulation; D008995:Monoamine Oxidase / Q000737:chemistry / Q000378:metabolism*; D008996:Monoamine Oxidase Inhibitors / Q000138:chemical synthesis / Q000737:chemistry* / Q000494:pharmacology*; D021281:Quantitative Structure-Activity Relationship
chemical_list: D001572:Benzofurans; D047188:Chalcones; D008996:Monoamine Oxidase Inhibitors; C486837:aurone; D008995:Monoamine Oxidase
keywords: QSAR; aurones; chalcones; molecular modeling; monoamine oxidase inhibitors