Scaffold hopping and optimization towards libraries of glycogen synthase kinase-3 inhibitors

Bioorg Med Chem Lett. 2002 Jun 3;12(11):1525-8. doi: 10.1016/s0960-894x(02)00169-5.

Abstract

Using a virtual screening strategy based on a methodology derived from the CATS molecular descriptor, a novel compound class with inhibitory activity against the GSK-3 enzyme was identified through scaffold hopping. These compounds were readily synthesized, either by solid-phase or solution-phase chemistry. Compounds with inhibitory activity below 1 microM were identified.

Publication types

  • Comparative Study

MeSH terms

  • Combinatorial Chemistry Techniques / methods*
  • Combinatorial Chemistry Techniques / statistics & numerical data
  • Enzyme Inhibitors / chemical synthesis
  • Enzyme Inhibitors / chemistry*
  • Enzyme Inhibitors / pharmacology
  • Glycogen Synthase Kinase 3 / antagonists & inhibitors*
  • Models, Molecular
  • Sensitivity and Specificity
  • Structure-Activity Relationship

Substances

  • Enzyme Inhibitors
  • Glycogen Synthase Kinase 3