Conversion of an MMP-potent scaffold to an MMP-selective HER-2 sheddase inhibitor via scaffold hybridization and subtle P1' permutations

Bioorg Med Chem Lett. 2008 Jan 15;18(2):560-4. doi: 10.1016/j.bmcl.2007.11.086. Epub 2007 Nov 28.

Abstract

A series of beta-sulfonamide piperidine hydroxamates were prepared and shown to be potent inhibitors of the human epidermal growth factor receptor-2 (HER-2) sheddase with excellent selectivity against MMP-1, -2, -3, and -9. This was achieved by exploiting subtle differences within the otherwise highly conserved S(1)(') binding pocket of the active sites within the metalloprotease family. In addition, it was discovered that the introduction of polarity to the P(1) and P(1)(') groups reduced the projected human clearance.

MeSH terms

  • Binding Sites
  • Enzyme Inhibitors / pharmacology*
  • Humans
  • Matrix Metalloproteinases / chemistry
  • Matrix Metalloproteinases / metabolism*
  • Piperidines / chemistry
  • Piperidines / metabolism
  • Piperidines / pharmacology*
  • Receptor, ErbB-2 / antagonists & inhibitors*
  • Receptor, ErbB-2 / chemistry

Substances

  • Enzyme Inhibitors
  • Piperidines
  • Receptor, ErbB-2
  • Matrix Metalloproteinases