title: Receptor-based virtual screening evaluation for the identification of estrogen receptor β ligands.
abstract: In this paper, a receptor-based virtual screening study for the identification of estrogen receptor β (ERβ) ligands was developed. Starting from a commercial database of 400,000 molecules, only six compounds resulted to be potential active ligands of ERβ. Interestingly, all the six molecules possess scaffolds that had already been reported in known ERβ ligands. Therefore, the results obtained herein confirm the reliability of our virtual screening procedure, thus encouraging the application of this protocol to larger commercial databases in order to identify new ERβ ligands.
authors.affiliation: Department of Pharmacy, University of Pisa , Pisa , Italy.
authors.forename: Tiziano
authors.initials: T
authors.lastname: Tuccinardi
authors.forename: Giulio
authors.initials: G
authors.lastname: Poli
authors.forename: Marco
authors.initials: M
authors.lastname: Dell'Agnello
authors.forename: Carlotta
authors.initials: C
authors.lastname: Granchi
authors.forename: Filippo
authors.initials: F
authors.lastname: Minutolo
authors.forename: Adriano
authors.initials: A
authors.lastname: Martinelli
mesh_terms: D047629:Estrogen Receptor beta / Q000378:metabolism*; D006801:Humans; D008024:Ligands; D062105:Molecular Docking Simulation
chemical_list: D047629:Estrogen Receptor beta; D008024:Ligands
keywords: Docking; estrogen receptors; virtual screening