title: Synthesis, human monoamine oxidase inhibitory activity and molecular docking studies of 3-heteroarylcoumarin derivatives.
abstract: Monoamine oxidase (MAO) is an important drug target for the treatment of neurological disorders. Series of 3-indolyl and 3-thiophenylcoumarins were synthesized and evaluated as inhibitors of the two human MAO isoforms, hMAO-A and hMAO-B. In general, the derivatives were found to be selective hMAO-B inhibitors with IC(50) values in the nanoMolar (nM) to microMolar (μM) range. Docking experiments were carried out in order to compare the theoretical and experimental affinity of these compounds to the hMAO-B protein. According to our results, docking experiments could be an interesting approach to try to predict the activity of this class of coumarins against MAO-B receptors.
authors.affiliation: Dipartimento Farmaco Chimico Tecnologico, Universita degli Studi di Cagliari, Via Ospedale 72, 09124 Cagliari, Italy.
authors.forename: Giovanna
authors.initials: G
authors.lastname: Delogu
authors.forename: Carmen
authors.initials: C
authors.lastname: Picciau
authors.forename: Giulio
authors.initials: G
authors.lastname: Ferino
authors.forename: Elías
authors.initials: E
authors.lastname: Quezada
authors.forename: Gianni
authors.initials: G
authors.lastname: Podda
authors.forename: Eugenio
authors.initials: E
authors.lastname: Uriarte
authors.forename: Dolores
authors.initials: D
authors.lastname: Viña
mesh_terms: D003374:Coumarins / Q000138:chemical synthesis* / Q000737:chemistry / Q000378:metabolism / Q000494:pharmacology*; D006801:Humans; D008958:Models, Molecular; D008995:Monoamine Oxidase / Q000737:chemistry / Q000378:metabolism*; D008996:Monoamine Oxidase Inhibitors / Q000138:chemical synthesis* / Q000737:chemistry / Q000378:metabolism / Q000494:pharmacology*; D011487:Protein Conformation
chemical_list: D003374:Coumarins; D008996:Monoamine Oxidase Inhibitors; C030123:coumarin; D008995:Monoamine Oxidase