Potent and selective P2-P3 ketoamide inhibitors of cathepsin K with good pharmacokinetic properties via favorable P1', P1, and/or P3 substitutions

Bioorg Med Chem Lett. 2004 Oct 4;14(19):4897-902. doi: 10.1016/j.bmcl.2004.07.031.

Abstract

A series of ketoamides were synthesized and evaluated for inhibitory activity against cathepsin K. Exploration of the interactions between achiral P(2) substituents and the cysteine protease based on molecular modelling suggestions resulted in potent cathepsin K inhibitors that demonstrated high selectivity versus cathepsins B, H, and L. Subsequent modifications of the P(3), P(1), and P(1') moieties afforded orally bioavailable inhibitors.

MeSH terms

  • Amides / chemical synthesis*
  • Amides / pharmacokinetics
  • Amides / pharmacology
  • Binding Sites
  • Cathepsin K
  • Cathepsins / antagonists & inhibitors*
  • Cathepsins / chemistry
  • Cysteine Proteinase Inhibitors / chemical synthesis*
  • Humans
  • Structure-Activity Relationship

Substances

  • Amides
  • Cysteine Proteinase Inhibitors
  • Cathepsins
  • CTSK protein, human
  • Cathepsin K