Ligand interactions with E-selectin. Identification of a new binding site for recognition of N-acyl aromatic glucosamine substituents of sialyl Lewis X

J Med Chem. 1996 Mar 29;39(7):1357-60. doi: 10.1021/jm9600611.

Abstract

Several N-acylglucosamine derivatives of sialyl Lewis X (1-3) were prepared using a combined chemical enzymatic approach and evaluated as an inhibitor of E-selectin-mediated cellular adhesion. Compounds with aromatic functionality, 1 and 2, were found to be 3-10 times more potent than the N-acetyl derivative (14) in an ELISA E-selectin cell adhesion assay. Conformational analysis with NMR indicated that the sialyl Lewis x domain of 1 retained the conformation of the N-acetyl derivative (14) despite the presence of the N-naphthamido group. The dramatic order of magnitude increase in potency of these monovalent structures can be utilized to design more potent selectin-based cell adhesion inhibitors.

MeSH terms

  • Binding Sites
  • Carbohydrate Conformation
  • Carbohydrate Sequence
  • Cell Adhesion / drug effects*
  • E-Selectin / metabolism*
  • Glucosamine / metabolism*
  • HL-60 Cells
  • Humans
  • Lewis Blood Group Antigens
  • Ligands
  • Magnetic Resonance Spectroscopy
  • Molecular Sequence Data
  • Oligosaccharides / chemistry
  • Oligosaccharides / metabolism*
  • Oligosaccharides / pharmacology*
  • Sialyl Lewis X Antigen

Substances

  • E-Selectin
  • Lewis Blood Group Antigens
  • Ligands
  • Oligosaccharides
  • Sialyl Lewis X Antigen
  • Glucosamine