Binding site elucidation and structure guided design of macrocyclic IL-17A antagonists

Sci Rep. 2016 Aug 16:6:30859. doi: 10.1038/srep30859.

Abstract

Interleukin-17A (IL-17A) is a principal driver of multiple inflammatory and immune disorders. Antibodies that neutralize IL-17A or its receptor (IL-17RA) deliver efficacy in autoimmune diseases, but no small-molecule IL-17A antagonists have yet progressed into clinical trials. Investigation of a series of linear peptide ligands to IL-17A and characterization of their binding site has enabled the design of novel macrocyclic ligands that are themselves potent IL-17A antagonists.

MeSH terms

  • Algorithms
  • Binding Sites
  • Cells, Cultured
  • Drug Design
  • Humans
  • Interleukin-17 / antagonists & inhibitors*
  • Interleukin-17 / chemistry*
  • Keratinocytes / cytology
  • Keratinocytes / drug effects
  • Keratinocytes / metabolism
  • Macrocyclic Compounds / chemistry
  • Macrocyclic Compounds / pharmacology
  • Molecular Dynamics Simulation
  • Peptides, Cyclic / chemistry
  • Peptides, Cyclic / pharmacology*
  • Protein Binding
  • Small Molecule Libraries / chemistry
  • Small Molecule Libraries / pharmacology*
  • Structure-Activity Relationship

Substances

  • IL17A protein, human
  • Interleukin-17
  • Macrocyclic Compounds
  • Peptides, Cyclic
  • Small Molecule Libraries