title: Aurones as histone deacetylase inhibitors: identification of key features.
abstract: In this study, a total of 22 flavonoids were tested for their HDAC inhibitory activity using fluorimetric and BRET-based assays. Four aurones were found to be active in both assays and showed IC50 values below 20 μM in the enzymatic assay. Molecular modelling revealed that the presence of hydroxyl groups was responsible for good compound orientation within the isoenzyme catalytic site and zinc chelation.
authors.affiliation: School of Pharmaceutical Sciences, University of Geneva, University of Lausanne, 30 Quai Ernest-Ansermet, CH-1211 Geneva 4, Switzerland.
authors.forename: Vincent
authors.initials: V
authors.lastname: Zwick
authors.affiliation: Laboratory of Organic Chemistry, School of Chemical Engineering, National Technical University of Athens, Zografou Campus, 15780 Athens, Greece.
authors.forename: Alkiviadis-Orfefs
authors.initials: AO
authors.lastname: Chatzivasileiou
authors.affiliation: School of Pharmaceutical Sciences, University of Geneva, University of Lausanne, 30 Quai Ernest-Ansermet, CH-1211 Geneva 4, Switzerland.
authors.forename: Nathalie
authors.initials: N
authors.lastname: Deschamps
authors.affiliation: Laboratory of Organic Chemistry, School of Chemical Engineering, National Technical University of Athens, Zografou Campus, 15780 Athens, Greece.
authors.forename: Marina
authors.initials: M
authors.lastname: Roussaki
authors.affiliation: School of Pharmaceutical Sciences, University of Geneva, University of Lausanne, 30 Quai Ernest-Ansermet, CH-1211 Geneva 4, Switzerland.
authors.forename: Claudia A
authors.initials: CA
authors.lastname: Simões-Pires
authors.affiliation: School of Pharmaceutical Sciences, University of Geneva, University of Lausanne, 30 Quai Ernest-Ansermet, CH-1211 Geneva 4, Switzerland.
authors.forename: Alessandra
authors.initials: A
authors.lastname: Nurisso
authors.affiliation: INSERM, UMR892, F-44000 Nantes, France; CNRS, UMR6299, F-44000 Nantes, France; Université Nantes, F-44000 Nantes, France.
authors.forename: Iza
authors.initials: I
authors.lastname: Denis
authors.affiliation: INSERM, UMR892, F-44000 Nantes, France; CNRS, UMR6299, F-44000 Nantes, France; Université Nantes, F-44000 Nantes, France; Réseau Epigénétique du Canceropôle Grand Ouest, France.
authors.forename: Christophe
authors.initials: C
authors.lastname: Blanquart
authors.affiliation: Institut de chimie, UMR CNRS 7272, UNSA, F-06108 Nice, France.
authors.forename: Nadine
authors.initials: N
authors.lastname: Martinet
authors.affiliation: School of Pharmaceutical Sciences, University of Geneva, University of Lausanne, 30 Quai Ernest-Ansermet, CH-1211 Geneva 4, Switzerland.
authors.forename: Pierre-Alain
authors.initials: PA
authors.lastname: Carrupt
authors.affiliation: Laboratory of Organic Chemistry, School of Chemical Engineering, National Technical University of Athens, Zografou Campus, 15780 Athens, Greece. Electronic address: adetsi@chemeng.ntua.gr.
authors.forename: Anastasia
authors.initials: A
authors.lastname: Detsi
authors.affiliation: School of Pharmaceutical Sciences, University of Geneva, University of Lausanne, 30 Quai Ernest-Ansermet, CH-1211 Geneva 4, Switzerland. Electronic address: muriel.cuendet@unige.ch.
authors.forename: Muriel
authors.initials: M
authors.lastname: Cuendet
mesh_terms: D001572:Benzofurans / Q000737:chemistry*; D015195:Drug Design; D056572:Histone Deacetylase Inhibitors / Q000737:chemistry*; D006801:Humans; D008958:Models, Molecular; D015394:Molecular Structure
chemical_list: D001572:Benzofurans; D056572:Histone Deacetylase Inhibitors; C486837:aurone
keywords: Aurone; Docking; Histone deacetylase; Structure activity relationship