title: Discovery of new liver X receptor agonists by pharmacophore modeling and shape-based virtual screening.
abstract: Agonists of liver X receptors (LXR) α and β are important regulators of cholesterol metabolism, but agonism of the LXRα subtype appears to cause hepatic lipogenesis, suggesting LXRβ-selective activators are attractive new lipid lowering drugs. In this work, pharmacophore modeling and shape-based virtual screening were combined to predict new LXRβ-selective ligands. Out of the 10 predicted compounds, three displayed significant LXR activity. Two activated both LXR subtypes. The third compound activated LXRβ 1.8-fold over LXRα.
authors: Institute of Pharmacy/Pharmaceutical Chemistry and Center for Molecular Biosciences Innsbruck, University of Innsbruck , Innrain 80-82, 6020 Innsbruck, Austria.
authors: Veronika
authors: V
authors: Temml
authors: Constance V
authors: CV
authors: Voss
authors: Verena M
authors: VM
authors: Dirsch
authors: Daniela
authors: D
authors: Schuster
mesh_terms: D004353:Drug Evaluation, Preclinical / Q000379:methods*; D000071518:Liver X Receptors; D008958:Models, Molecular; D008968:Molecular Conformation; D057093:Orphan Nuclear Receptors / Q000819:agonists* / Q000737:chemistry; D014584:User-Computer Interface
chemical_list: D000071518:Liver X Receptors; D057093:Orphan Nuclear Receptors