A novel class of potent nonglycosidic and nonpeptidic pan-selectin inhibitors

J Med Chem. 2006 Oct 5;49(20):5988-99. doi: 10.1021/jm060468y.

Abstract

An early step of the inflammatory response, the rolling of leukocytes on activated endothelial cells, is mediated by selectin/carbohydrate interactions. The tetrasaccharide sialy Lewisx is a ligand for E-, P-, and L-selectin and therefore serves as a lead structure for the development of analogues. A combination of synthesis and structure-based design allowed rapid optimization. The current lead 2a was evaluated in our E-selectin cell flow chamber assay where it proved to inhibit rolling and adhesion with an IC50 of 28+/-7 microM. The assays used are predictive for the in vivo efficacy of test compounds as shown for 2a in a proteose peptone induced peritonitis model of acute inflammation in mice.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • 4-Aminobenzoic Acid / chemical synthesis
  • 4-Aminobenzoic Acid / chemistry
  • 4-Aminobenzoic Acid / pharmacology
  • Acute Disease
  • Algorithms
  • Animals
  • Anti-Inflammatory Agents, Non-Steroidal / chemical synthesis*
  • Anti-Inflammatory Agents, Non-Steroidal / chemistry
  • Anti-Inflammatory Agents, Non-Steroidal / pharmacology
  • Binding Sites
  • Caseins
  • Cell Adhesion / drug effects
  • E-Selectin / metabolism
  • Endothelial Cells / physiology
  • Enzyme-Linked Immunosorbent Assay
  • In Vitro Techniques
  • Leukocytes / physiology
  • Ligands
  • Male
  • Mice
  • Mice, Inbred C57BL
  • Models, Molecular
  • Peptide Fragments
  • Peritonitis / chemically induced
  • Peritonitis / drug therapy
  • Protein Binding
  • Selectins / metabolism*
  • Structure-Activity Relationship
  • para-Aminobenzoates*

Substances

  • 4-(N-(6-(3,5-bis(decyloxy)phenoxy)hexyl)-N-(4-carboxyphenyl)amino)benzoic acid
  • Anti-Inflammatory Agents, Non-Steroidal
  • Caseins
  • E-Selectin
  • Ligands
  • Peptide Fragments
  • Selectins
  • para-Aminobenzoates
  • proteose-peptone
  • 4-Aminobenzoic Acid