Structure-based design of potent and selective cell-permeable inhibitors of human beta-secretase (BACE-1)

J Med Chem. 2004 Dec 16;47(26):6447-50. doi: 10.1021/jm049379g.

Abstract

We describe the development of cell-permeable beta-secretase inhibitors that demonstratively inhibit the production of the secreted amino terminal fragment of an artificial amyloid precursor protein in cell culture. In addition to potent inhibition in a cell-based assay (IC50 < 100 nM), these inhibitors display impressive selectivity against other biologically relevant aspartyl proteases.

MeSH terms

  • Amyloid Precursor Protein Secretases
  • Aspartic Acid Endopeptidases / antagonists & inhibitors*
  • Aspartic Acid Endopeptidases / chemistry
  • Binding Sites
  • Cell Line
  • Cell Membrane Permeability
  • Crystallography, X-Ray
  • Drug Design
  • Ethylamines / chemical synthesis*
  • Ethylamines / chemistry
  • Ethylamines / pharmacology
  • Humans
  • Models, Molecular
  • Structure-Activity Relationship
  • Sulfonamides / chemical synthesis*
  • Sulfonamides / chemistry
  • Sulfonamides / pharmacology

Substances

  • Ethylamines
  • Sulfonamides
  • Amyloid Precursor Protein Secretases
  • Aspartic Acid Endopeptidases