Identification and characterization of a novel chemotype for human TLR8 inhibitors

Eur J Med Chem. 2019 Oct 1:179:744-752. doi: 10.1016/j.ejmech.2019.06.084. Epub 2019 Jun 29.

Abstract

The endosomal Toll-like receptor 8 (TLR8) recognizes single-stranded RNA and initiates early inflammatory responses. Despite the importance of endosomal TLRs for human host defense against microbial pathogens, extensive activation may contribute to autoimmune and inflammatory diseases. In contrast to the recent progress made in the development of modulators of plasma membrane-bound TLRs, little is known about endosomal TLR modulation and very few TLR8 inhibitors have been reported. In this study, we discovered and validated novel small-molecule TLR8 inhibitors. Fourteen potential TLR8 modulators were experimentally validated in HEK293T cells stably overexpressing human TLR8 and THP-1 macrophages. Five compounds inhibited TLR8-mediated signaling, representing a hit rate of 36%. The three most potent compounds neither cause cellular toxicity nor inhibition of TLR signaling induced by other receptor subtypes. Conclusively, we experimentally confirm novel and selective, pyrimidine-based TLR8 inhibitors with low cytotoxicity that are relevant candidates for lead optimization and further mechanistic studies.

Keywords: Inflammation; Inhibitors; Pyrimidine scaffold; Toll-like receptor 8; Virtual screening.

MeSH terms

  • Cell Survival / drug effects
  • Cells, Cultured
  • Dose-Response Relationship, Drug
  • HEK293 Cells
  • Humans
  • Models, Molecular
  • Molecular Structure
  • Pyrimidines / chemistry
  • Pyrimidines / pharmacology*
  • Signal Transduction / drug effects
  • Small Molecule Libraries / chemistry
  • Small Molecule Libraries / pharmacology*
  • Structure-Activity Relationship
  • THP-1 Cells
  • Toll-Like Receptor 8 / antagonists & inhibitors*
  • Toll-Like Receptor 8 / metabolism

Substances

  • Pyrimidines
  • Small Molecule Libraries
  • TLR8 protein, human
  • Toll-Like Receptor 8
  • pyrimidine