Inhibition of cruzipain visualized in a fluorescence quenched solid-phase inhibitor library assay. D-amino acid inhibitors for cruzipain, cathepsin B and cathepsin L

J Pept Sci. 1998 Apr;4(2):83-91. doi: 10.1002/(sici)1099-1387(199804)4:2<83::aid-psc124>3.0.co;2-z.

Abstract

A PEGA-resin was derivatized with a 3:1 mixture of hydroxymethyl benzoic acid and Fmoc-Lys(Boc)-OH and the fluorogenic substrate Ac-Y(NO2)KLRFSKQK(Abz)-PEGA was assembled on the lysine using the active ester approach. Following esterification of the hydroxymethyl benzoic acid with Fmoc-Val-OH a library XXX-k/r-XXXV containing approximately 200,000 beads was assembled by split synthesis. The resulting 'one bead, two peptides' library was subjected to extensive hydrolysis with cruzipain. One hundred darker beads were isolated and the 14 most persistently dark beads were collected and sequenced. The putative inhibitor peptides and several analogues were synthesized and found to be competitive microM to nM inhibitors of cruzipain in solution. The inhibitory activity was found to be unspecific to cruzipain when compared with cathepsins B and L and specific when compared with kallikrein. One of the inhibitors was docked into the active site of cathepsin B and was found most probably to bind to the enzyme cavity in an unusual manner, owing to the inserted D-amino acid residue.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Amino Acids / pharmacology*
  • Animals
  • Binding Sites / physiology
  • Binding, Competitive
  • Cathepsin B / metabolism*
  • Cathepsin L
  • Cathepsins / metabolism*
  • Cysteine Endopeptidases / metabolism*
  • Endopeptidases*
  • Enzyme Inhibitors / pharmacology
  • Fluorescent Dyes / metabolism
  • Humans
  • Kallikreins / metabolism
  • Kinetics
  • Mammals
  • Models, Molecular
  • Peptide Library
  • Peptides / chemical synthesis
  • Peptides / pharmacology
  • Protein Conformation
  • Protozoan Proteins / metabolism
  • Substrate Specificity
  • Trypanosoma cruzi / enzymology*

Substances

  • Amino Acids
  • Enzyme Inhibitors
  • Fluorescent Dyes
  • Peptide Library
  • Peptides
  • Protozoan Proteins
  • Cathepsins
  • Endopeptidases
  • Kallikreins
  • Cysteine Endopeptidases
  • Cathepsin B
  • CTSL protein, human
  • Cathepsin L
  • cruzipain