De novo design of alpha-amylase inhibitor: a small linear mimetic of macromolecular proteinaceous ligands

Chem Biol. 2005 Dec;12(12):1349-57. doi: 10.1016/j.chembiol.2005.10.005.

Abstract

We report a low molecular weight inhibitor of alpha-amylases based on a linear peptidic scaffold designed de novo through the use of combinatorial chemistry. The inhibitory motif denoted PAMI (peptide amylase inhibitor) was selected by using L-peptide libraries and was fine-tuned by the introduction of unnatural modifications. PAMI specifically inhibits glycoside hydrolases of family 13. Its interaction with porcine pancreatic alpha-amylase was characterized by inhibition kinetics, fluorescence competition assays with natural alpha-amylase inhibitors, and isothermal titration calorimetry. We demonstrate that the critical amino acid residues in PAMI are shared with those in the macromolecular proteinaceous inhibitors that, however, bind to alpha-amylases through a spatially scattered set of intermolecular contacts. Thus, natural molecular evolution as well as combinatorial evolution selected the same alpha-amylase binding determinants for completely different spatial frameworks.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Amino Acid Motifs
  • Animals
  • Binding Sites
  • Enzyme Inhibitors / chemistry*
  • Kinetics
  • Ligands*
  • Molecular Mimicry*
  • Molecular Structure
  • Peptide Library*
  • Swine
  • alpha-Amylases / antagonists & inhibitors*
  • alpha-Amylases / chemistry*

Substances

  • Enzyme Inhibitors
  • Ligands
  • Peptide Library
  • alpha-Amylases