Characterization of TRIF selectivity in the AGP class of lipid A mimetics: role of secondary lipid chains

Bioorg Med Chem Lett. 2015 Feb 1;25(3):547-53. doi: 10.1016/j.bmcl.2014.12.024. Epub 2014 Dec 17.

Abstract

TLR4 agonists that favor TRIF-dependent signaling and the induction of type 1 interferons may have potential as vaccine adjuvants with reduced toxicity. CRX-547 (4), a member of the aminoalkyl glucosaminide 4-phosphate (AGP) class of lipid A mimetics possessing three (R)-3-decanoyloxytetradecanoyl groups and d-relative configuration in the aglycon, selectively reduces MyD88-dependent signaling resulting in TRIF-selective signaling, whereas the corresponding secondary ether lipid 6a containing (R)-3-decyloxytetradecanoyl groups does not. In order to determine which secondary acyl groups are important for the reduction in MyD88-dependent signaling activity of 4, the six possible ester/ether hybrid derivatives of 4 and 6a were synthesized and evaluated for their ability to induce NF-κB in a HEK293 cell reporter assay. An (R)-3-decanoyloxytetradecanoyl group on the 3-position of the d-glucosamine unit was found to be indispensable for maintaining low NF-κB activity irrespective of the substitutions (decyl or decanoyl) on the other two secondary positions. These results suggest that the carbonyl group of the 3-secondary lipid chain may impede homodimerization and/or conformational changes in the TLR4-MD2 complex necessary for MyD88 binding and pro-inflammatory cytokine induction.

Keywords: AGP; Glycolipids; Lipid A mimetic; NF-κB activity; TLR4 agonist; TRIF selectivity; Vaccine adjuvant.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Adaptor Proteins, Vesicular Transport / chemistry
  • Adaptor Proteins, Vesicular Transport / metabolism*
  • Binding Sites
  • Biocompatible Materials / chemistry
  • Biocompatible Materials / metabolism*
  • Cytokines / metabolism
  • Glucosamine / analogs & derivatives
  • Glucosamine / chemistry
  • HEK293 Cells
  • Humans
  • Lipid A / chemistry*
  • Molecular Docking Simulation
  • Myeloid Differentiation Factor 88 / metabolism
  • NF-kappa B / metabolism
  • Organophosphorus Compounds / chemistry
  • Protein Binding
  • Protein Structure, Tertiary
  • Signal Transduction / drug effects
  • Toll-Like Receptor 4 / agonists
  • Toll-Like Receptor 4 / genetics
  • Toll-Like Receptor 4 / metabolism

Substances

  • AGP 527
  • Adaptor Proteins, Vesicular Transport
  • Biocompatible Materials
  • Cytokines
  • Lipid A
  • Myeloid Differentiation Factor 88
  • NF-kappa B
  • Organophosphorus Compounds
  • TICAM1 protein, human
  • Toll-Like Receptor 4
  • Glucosamine