Small Molecule Disruptors of the Glucokinase-Glucokinase Regulatory Protein Interaction: 5. A Novel Aryl Sulfone Series, Optimization Through Conformational Analysis

J Med Chem. 2015 Jun 11;58(11):4462-82. doi: 10.1021/jm5018175. Epub 2015 Jun 1.

Abstract

The glucokinase-glucokinase regulatory protein (GK-GKRP) complex plays an important role in controlling glucose homeostasis in the liver. We have recently disclosed a series of arylpiperazines as in vitro and in vivo disruptors of the GK-GKRP complex with efficacy in rodent models of type 2 diabetes mellitus (T2DM). Herein, we describe a new class of aryl sulfones as disruptors of the GK-GKRP complex, where the central piperazine scaffold has been replaced by an aromatic group. Conformational analysis and exploration of the structure-activity relationships of this new class of compounds led to the identification of potent GK-GKRP disruptors. Further optimization of this novel series delivered thiazole sulfone 93, which was able to disrupt the GK-GKRP interaction in vitro and in vivo and, by doing so, increases cytoplasmic levels of unbound GK.

MeSH terms

  • Aminopyridines / chemistry
  • Aminopyridines / pharmacology*
  • Animals
  • Carrier Proteins / antagonists & inhibitors*
  • Carrier Proteins / metabolism
  • Crystallography, X-Ray
  • Glucokinase / antagonists & inhibitors*
  • Glucokinase / metabolism
  • Glucose / metabolism
  • Hypoglycemic Agents / chemistry
  • Hypoglycemic Agents / pharmacology*
  • Liver / cytology
  • Liver / drug effects*
  • Liver / metabolism
  • Models, Molecular
  • Molecular Conformation
  • Molecular Structure
  • Rats
  • Rats, Sprague-Dawley
  • Small Molecule Libraries / chemistry
  • Small Molecule Libraries / pharmacology*
  • Structure-Activity Relationship
  • Sulfones / chemistry*
  • Sulfones / pharmacology

Substances

  • 2-(4-(5-((6-aminopyridin-3-yl)sulfonyl)thiazol-2-yl)-3-chlorophenyl)propane-1,2-diol
  • Aminopyridines
  • Carrier Proteins
  • Hypoglycemic Agents
  • Small Molecule Libraries
  • Sulfones
  • glucokinase regulatory protein
  • Glucokinase
  • Glucose

Associated data

  • PDB/4OP1
  • PDB/4OP2
  • PDB/4OP3