title: Rational design of the first small-molecule antagonists of NHERF1/EBP50 PDZ domains.
abstract: This report describes the first small-molecule antagonists that specifically target the ligand-binding pocket of PDZ domains of NHERF1 multi-functional adaptor protein. Comparison of the peptide sequence homology between the native ligand of NHERF1 PDZ domains and an indole-based non-peptide chemical scaffold allowed the design of a small-molecule antagonist of NHERF1 PDZ domains.
authors.affiliation: Department of Chemical Biology and Therapeutics, St. Jude Children's Research Hospital, Memphis, TN 38105, USA.
authors.forename: Anand
authors.initials: A
authors.lastname: Mayasundari
authors.forename: Antonio M
authors.initials: AM
authors.lastname: Ferreira
authors.forename: Liwen
authors.initials: L
authors.lastname: He
authors.forename: Neeraj
authors.initials: N
authors.lastname: Mahindroo
authors.forename: Don
authors.initials: D
authors.lastname: Bashford
authors.forename: Naoaki
authors.initials: N
authors.lastname: Fujii
mesh_terms: D015195:Drug Design; D006801:Humans; D007211:Indoles / Q000138:chemical synthesis* / Q000737:chemistry / Q000494:pharmacology*; D008958:Models, Molecular; D008968:Molecular Conformation; D015394:Molecular Structure; D054731:PDZ Domains / Q000187:drug effects*; D010750:Phosphoproteins / Q000037:antagonists & inhibitors*; D017923:Sodium-Hydrogen Exchangers / Q000037:antagonists & inhibitors*; D013329:Structure-Activity Relationship
chemical_list: D007211:Indoles; D010750:Phosphoproteins; D017923:Sodium-Hydrogen Exchangers; C093376:sodium-hydrogen exchanger regulatory factor