title: CYP19 (aromatase): exploring the scaffold flexibility for novel selective inhibitors.
abstract: Several derivatives out of a series of antifungal agents exhibited a good inhibitory potency against aromatase as well as a fairly good selectivity toward CYP17, even if lacking H-bond accepting substituents. Their common structural feature is a flexible backbone that did not fit into previously reported CYP19 models. Thus, a ligand-based approach was exploited to develop a novel statistically robust, self-consistent and predictive 3D-QSAR model herein proposed as a helpful tool to design new aromatase inhibitors.
authors.affiliation: Dipartimento di Scienze Farmaceutiche, Università di Salerno, Via Ponte Don Melillo, I-84084 Fisciano (SA), Italy.
authors.forename: Sabrina
authors.initials: S
authors.lastname: Castellano
authors.forename: Giorgio
authors.initials: G
authors.lastname: Stefancich
authors.forename: Rino
authors.initials: R
authors.lastname: Ragno
authors.forename: Katarzyna
authors.initials: K
authors.lastname: Schewe
authors.forename: Marisabella
authors.initials: M
authors.lastname: Santoriello
authors.forename: Antonia
authors.initials: A
authors.lastname: Caroli
authors.forename: Rolf W
authors.initials: RW
authors.lastname: Hartmann
authors.forename: Gianluca
authors.initials: G
authors.lastname: Sbardella
mesh_terms: D000935:Antifungal Agents / Q000138:chemical synthesis / Q000494:pharmacology*; D047072:Aromatase Inhibitors / Q000138:chemical synthesis / Q000494:pharmacology*; D015195:Drug Design; D008024:Ligands; D021281:Quantitative Structure-Activity Relationship; D013254:Steroid 17-alpha-Hydroxylase / Q000037:antagonists & inhibitors*
chemical_list: D000935:Antifungal Agents; D047072:Aromatase Inhibitors; D008024:Ligands; D013254:Steroid 17-alpha-Hydroxylase