Synthesis and target identification of hymenialdisine analogs

Chem Biol. 2004 Feb;11(2):247-59. doi: 10.1016/j.chembiol.2004.01.015.

Abstract

Hymenialdisine (HMD) is a sponge-derived natural product kinase inhibitor with nanomolar activity against CDKs, Mek1, GSK3beta, and CK1 and micromolar activity against Chk1. In order to explore the broader application of the pyrrolo[2,3-c]azepine skeleton of HMD as a general kinase inhibitory scaffold, we searched for additional protein targets using affinity chromatography in conjunction with the synthesis of diverse HMD analogs and profiled HMD against a panel of 60 recombinant enzymes. This effort has led to nanomolar to micromolar inhibitors of 11 new targets including p90RSK, KDR, c-Kit, Fes, MAPK1, PAK2, PDK1, PKCtheta, PKD2, Rsk1, and SGK. The synthesis of HMD analogs has resulted in the identification of compounds with enhanced and/or dramatically altered selectivities relative to HMD (28n) and in molecules with antiproliferative activities 30-fold higher than HMD (28p).

MeSH terms

  • Amino Acid Sequence
  • Azepines / chemical synthesis
  • Azepines / chemistry*
  • Azepines / pharmacology
  • Chromatography, Affinity
  • Enzyme Inhibitors / chemical synthesis
  • Enzyme Inhibitors / chemistry*
  • Enzyme Inhibitors / pharmacology
  • Molecular Sequence Data
  • Phosphotransferases / antagonists & inhibitors*
  • Phosphotransferases / metabolism
  • Pyrroles / chemical synthesis
  • Pyrroles / chemistry*
  • Pyrroles / pharmacology
  • Structure-Activity Relationship

Substances

  • Azepines
  • Enzyme Inhibitors
  • Pyrroles
  • hymenialdisine
  • Phosphotransferases