title: Virtual ligand screening combined with NMR to identify Dvl PDZ domain inhibitors targeting the Wnt signaling.
abstract: Virtual ligand screening is a powerful technique to identify potential hits of targets and to increase hit rates. Here, we describe how we used this technique combined with NMR (15)N HSQC experiments to obtain small molecules that bind to the PDZ domain of Dvl targeting the Wnt signaling pathway.
authors.affiliation: Department of Structural Biology, St. Jude Children's Research Hospital, Memphis, TN, USA.
authors.forename: Jufang
authors.initials: J
authors.lastname: Shan
authors.forename: Jie J
authors.initials: JJ
authors.lastname: Zheng
mesh_terms: D016208:Databases, Factual; D004353:Drug Evaluation, Preclinical / Q000379:methods*; D008024:Ligands; D009682:Magnetic Resonance Spectroscopy / Q000379:methods*; D054731:PDZ Domains; D012984:Software; D060449:Wnt Signaling Pathway
chemical_list: D008024:Ligands