Soluble 3',6-substituted indirubins with enhanced selectivity toward glycogen synthase kinase -3 alter circadian period

J Med Chem. 2008 Oct 23;51(20):6421-31. doi: 10.1021/jm800648y. Epub 2008 Sep 25.

Abstract

Glycogen synthase kinase -3 (GSK-3) is a key enzyme involved in numerous physiological events and in major diseases, such as Alzheimer's disease, diabetes, and cardiac hypertrophy. Indirubins are bis-indoles that can be generated from various natural sources or chemically synthesized. While rather potent and selective as GSK-3 inhibitors, most indirubins exhibit low water solubility. To address the issue of solubility, we have designed novel analogues of 6-bromo-indirubin-3'-oxime with increased hydrophilicity based on the GSK-3/indirubins cocrystal structures. The new derivatives with an extended amino side chain attached at position 3' showed potent GSK-3 inhibitory activity, enhanced selectivity, and dramatically increased water solubility. Furthermore, some of them displayed little or no cytotoxicity. The new indirubins inhibit GSK-3 in a cellular reporter model. They alter the circadian period measured in rhythmically expressing cell cultures, suggesting that they might constitute tools to investigate circadian rhythm regulation.

Publication types

  • Research Support, N.I.H., Extramural
  • Research Support, Non-U.S. Gov't

MeSH terms

  • Animals
  • Binding Sites
  • Bromine Compounds / chemical synthesis
  • Bromine Compounds / chemistry
  • Bromine Compounds / pharmacology
  • Cell Line
  • Circadian Rhythm / drug effects*
  • Crystallography, X-Ray
  • Glycogen Synthase Kinase 3 / antagonists & inhibitors*
  • Glycogen Synthase Kinase 3 / chemistry
  • Glycogen Synthase Kinase 3 / metabolism*
  • Humans
  • Hydrophobic and Hydrophilic Interactions
  • Indoles / chemical synthesis
  • Indoles / chemistry
  • Indoles / pharmacology
  • Models, Molecular
  • Molecular Structure
  • Phosphorylation / drug effects
  • Protein Kinase Inhibitors / chemical synthesis*
  • Protein Kinase Inhibitors / chemistry
  • Protein Kinase Inhibitors / pharmacology*
  • Rats
  • Solubility
  • Structure-Activity Relationship
  • beta Catenin / metabolism

Substances

  • Bromine Compounds
  • Indoles
  • Protein Kinase Inhibitors
  • beta Catenin
  • Glycogen Synthase Kinase 3
  • indirubin