Small molecule disruptors of the glucokinase-glucokinase regulatory protein interaction: 2. Leveraging structure-based drug design to identify analogues with improved pharmacokinetic profiles

J Med Chem. 2014 Jan 23;57(2):325-38. doi: 10.1021/jm4016747. Epub 2014 Jan 9.

Abstract

In the previous report , we described the discovery and optimization of novel small molecule disruptors of the GK-GKRP interaction culminating in the identification of 1 (AMG-1694). Although this analogue possessed excellent in vitro potency and was a useful tool compound in initial proof-of-concept experiments, high metabolic turnover limited its advancement. Guided by a combination of metabolite identification and structure-based design, we have successfully discovered a potent and metabolically stable GK-GKRP disruptor (27, AMG-3969). When administered to db/db mice, this compound demonstrated a robust pharmacodynamic response (GK translocation) as well as statistically significant dose-dependent reductions in fed blood glucose levels.

MeSH terms

  • Alkynes / chemical synthesis
  • Alkynes / pharmacokinetics
  • Alkynes / pharmacology
  • Animals
  • Blood Glucose / metabolism
  • Carrier Proteins / chemistry
  • Carrier Proteins / metabolism*
  • Glucokinase / chemistry
  • Glucokinase / metabolism*
  • Hepatocytes / drug effects
  • Hepatocytes / metabolism
  • Humans
  • Hypoglycemic Agents / chemistry*
  • Hypoglycemic Agents / pharmacokinetics
  • Hypoglycemic Agents / pharmacology
  • Mice
  • Microsomes, Liver / metabolism
  • Models, Molecular
  • Morpholines / chemical synthesis
  • Morpholines / pharmacokinetics
  • Morpholines / pharmacology
  • Piperazines / chemical synthesis*
  • Piperazines / pharmacokinetics
  • Piperazines / pharmacology
  • Protein Binding
  • Protein Transport
  • Rats
  • Stereoisomerism
  • Structure-Activity Relationship
  • Sulfonamides / chemical synthesis*
  • Sulfonamides / pharmacokinetics
  • Sulfonamides / pharmacology

Substances

  • 2-(4-(4-((6-amino-3-pyridinyl)sulfonyl)-2-(1-propyn-1-yl)-1-piperazinyl)phenyl)-1,1,1,3,3,3-hexafluoro-2-propanol
  • Alkynes
  • Blood Glucose
  • Carrier Proteins
  • Hypoglycemic Agents
  • Morpholines
  • Piperazines
  • Sulfonamides
  • glucokinase regulatory protein
  • Glucokinase