Investigating small molecules to inhibit germinal center kinase-like kinase (GLK/MAP4K3) upstream of PKCθ phosphorylation: Potential therapy to modulate T cell dependent immunity

Bioorg Med Chem Lett. 2018 Jun 1;28(10):1964-1971. doi: 10.1016/j.bmcl.2018.03.032. Epub 2018 Mar 26.

Abstract

Germinal center kinase-like kinase (GLK, also known as MAP4K3) has been hypothesized to have an effect on key cellular activities, including inflammatory responses. GLK is required for activation of protein kinase C-θ (PKCθ) in T cells. Controlling the activity of T helper cell responses could be valuable for the treatment of autoimmune diseases. This approach circumvents previous unsuccessful approaches to target PKCθ directly. The use of structure based drug design, aided by the first crystal structure of GLK, led to the discovery of several inhibitors that demonstrate potent inhibition of GLK biochemically and in relevant cell lines.

Keywords: Crystal structure; GLK inhibitor; Germinal center kinase-like kinase; MAP4K3; Protein kinase C-θ; Structure activity relationship.

MeSH terms

  • Animals
  • Binding Sites
  • Cell Line
  • Humans
  • Inhibitory Concentration 50
  • Interleukin-2 / metabolism
  • Mice
  • Mice, Knockout
  • Molecular Docking Simulation
  • Phosphorylation / drug effects
  • Protein Kinase C-theta / metabolism*
  • Protein Kinase Inhibitors / chemistry*
  • Protein Kinase Inhibitors / metabolism
  • Protein Kinase Inhibitors / pharmacology
  • Protein Serine-Threonine Kinases / antagonists & inhibitors
  • Protein Serine-Threonine Kinases / metabolism*
  • Protein Structure, Tertiary
  • Pyridines / chemistry
  • Pyridines / metabolism
  • Pyridines / pharmacology
  • Structure-Activity Relationship
  • T-Lymphocytes / cytology
  • T-Lymphocytes / drug effects
  • T-Lymphocytes / immunology

Substances

  • Interleukin-2
  • Protein Kinase Inhibitors
  • Pyridines
  • MAP4K3 protein, human
  • Protein Serine-Threonine Kinases
  • Protein Kinase C-theta