Inhibition of lymphoid tyrosine phosphatase by benzofuran salicylic acids

J Med Chem. 2011 Jan 27;54(2):562-71. doi: 10.1021/jm101004d. Epub 2010 Dec 29.

Abstract

The lymphoid tyrosine phosphatase (Lyp, PTPN22) is a critical negative regulator of T cell antigen receptor (TCR) signaling. A single-nucleotide polymorphism (SNP) in the ptpn22 gene correlates with the incidence of various autoimmune diseases, including type 1 diabetes, rheumatoid arthritis, and systemic lupus erythematosus. Since the disease-associated allele is a more potent inhibitor of TCR signaling, specific Lyp inhibitors may become valuable in treating autoimmunity. Using a structure-based approach, we synthesized a library of 34 compounds that inhibited Lyp with IC(50) values between 0.27 and 6.2 μM. A reporter assay was employed to screen for compounds that enhanced TCR signaling in cells, and several inhibitors displayed a dose-dependent, activating effect. Subsequent probing for Lyp's direct physiological targets by immunoblot analysis confirmed the ability of the compounds to inhibit Lyp in T cells. Selectivity profiling against closely related tyrosine phosphatases and in silico docking studies with the crystal structure of Lyp yielded valuable information for the design of Lyp-specific compounds.

Publication types

  • Research Support, N.I.H., Extramural

MeSH terms

  • Benzofurans / chemical synthesis*
  • Benzofurans / chemistry
  • Benzofurans / pharmacology
  • Humans
  • Jurkat Cells
  • Models, Molecular
  • NFATC Transcription Factors / metabolism
  • Protein Tyrosine Phosphatase, Non-Receptor Type 22 / antagonists & inhibitors*
  • Protein Tyrosine Phosphatase, Non-Receptor Type 22 / chemistry
  • Protein Tyrosine Phosphatase, Non-Receptor Type 22 / genetics
  • Receptors, Antigen, T-Cell / physiology
  • Recombinant Proteins / antagonists & inhibitors
  • Recombinant Proteins / chemistry
  • Recombinant Proteins / genetics
  • Salicylates / chemical synthesis*
  • Salicylates / chemistry
  • Salicylates / pharmacology
  • Small Molecule Libraries
  • Structure-Activity Relationship
  • T-Lymphocytes / drug effects
  • T-Lymphocytes / metabolism
  • Transcription Factor AP-1 / metabolism

Substances

  • Benzofurans
  • NFATC Transcription Factors
  • Receptors, Antigen, T-Cell
  • Recombinant Proteins
  • Salicylates
  • Small Molecule Libraries
  • Transcription Factor AP-1
  • Protein Tyrosine Phosphatase, Non-Receptor Type 22