Evaluation of quinazoline analogues as glucocerebrosidase inhibitors with chaperone activity

J Med Chem. 2011 Feb 24;54(4):1033-58. doi: 10.1021/jm1008902. Epub 2011 Jan 20.

Abstract

Gaucher disease is a lysosomal storage disorder (LSD) caused by deficiency in the enzyme glucocerebrosidase (GC). Small molecule chaperones of protein folding and translocation have been proposed as a promising therapeutic approach to this LSD. Most small molecule chaperones described in the literature contain an iminosugar scaffold. Here we present the discovery and evaluation of a new series of GC inhibitors with a quinazoline core. We demonstrate that this series can improve the translocation of GC to the lysosome in patient-derived cells. To optimize this chemical series, systematic synthetic modifications were performed and the SAR was evaluated and compared using three different readouts of compound activity: enzymatic inhibition, enzyme thermostabilization, and lysosomal translocation of GC.

Publication types

  • Research Support, N.I.H., Extramural
  • Research Support, N.I.H., Intramural

MeSH terms

  • Cell Line
  • Fibroblasts
  • Gaucher Disease / drug therapy
  • Gaucher Disease / enzymology
  • Glucosylceramidase / antagonists & inhibitors*
  • Glucosylceramidase / chemistry
  • Glucosylceramidase / metabolism
  • Humans
  • Hymecromone / analogs & derivatives
  • Hymecromone / analysis
  • Immunohistochemistry
  • Lysosomes / drug effects
  • Lysosomes / enzymology
  • Lysosomes / metabolism
  • Magnetic Resonance Spectroscopy
  • Microscopy, Confocal
  • Molecular Chaperones / chemical synthesis
  • Molecular Chaperones / chemistry*
  • Molecular Chaperones / pharmacology*
  • Quinazolines / chemical synthesis
  • Quinazolines / chemistry*
  • Quinazolines / pharmacology*
  • Spectrometry, Mass, Electrospray Ionization
  • Spleen / enzymology
  • Spleen / metabolism
  • Structure-Activity Relationship

Substances

  • Molecular Chaperones
  • Quinazolines
  • Hymecromone
  • Glucosylceramidase