Discovery of allosteric BCR-ABL inhibitors from phenotypic screen to clinical candidate

Methods Enzymol. 2014:548:173-88. doi: 10.1016/B978-0-12-397918-6.00007-0.

Abstract

The development of imatinib, an ATP-competitive inhibitor of the BCR-ABL oncoprotein, has revolutionized the treatment of chronic myelogenous leukemia (CML). Unfortunately, the leukemia eventually becomes resistant imatinib as a result of emergence of cells expressing drug insensitive BCR-ABL mutant proteins. This has motivated the development of several next-generation ATP-competitive drugs. This chapter describes the discovery and development of a complementary strategy involving inhibiting BCR-ABL by targeting an allosteric binding site. Compounds that bind to the myristate-binding pocket of BCR-ABL are able to induce formation of an "inactive" state and are able to overcome resistance mutations located in the ATP-binding pocket including the recalcitrant T315I "gatekeeper" mutation. Myristate-pocket inhibitors are also able to function synergistically with ATP-competitive inhibitors in cellular and murine models of CML and this dual inhibitory strategy is currently being investigated in the clinic.

Keywords: Allosteric inhibitor; BCR–ABL; Kinase inhibitor; Myristate-pocket binders; T315I gatekeeper mutation.

Publication types

  • Review

MeSH terms

  • Adenosine Triphosphate / antagonists & inhibitors
  • Adenosine Triphosphate / chemistry
  • Adenosine Triphosphate / metabolism
  • Allosteric Regulation
  • Animals
  • Binding Sites
  • Binding, Competitive
  • Catalytic Domain
  • Drug Discovery*
  • Drug Evaluation, Preclinical
  • Drugs, Investigational / chemistry
  • Drugs, Investigational / metabolism
  • Drugs, Investigational / pharmacology*
  • Fusion Proteins, bcr-abl / antagonists & inhibitors*
  • Fusion Proteins, bcr-abl / chemistry
  • Fusion Proteins, bcr-abl / metabolism
  • Humans
  • Ligands
  • Models, Molecular*
  • Molecular Conformation
  • Myristic Acid / antagonists & inhibitors
  • Myristic Acid / chemistry
  • Myristic Acid / metabolism
  • Protein Kinase Inhibitors / chemistry
  • Protein Kinase Inhibitors / metabolism
  • Protein Kinase Inhibitors / pharmacology*

Substances

  • Drugs, Investigational
  • Ligands
  • Protein Kinase Inhibitors
  • Myristic Acid
  • Adenosine Triphosphate
  • Fusion Proteins, bcr-abl