Applying a multitarget rational drug design strategy: the first set of modulators with potent and balanced activity toward dopamine D3 receptor and fatty acid amide hydrolase

Chem Commun (Camb). 2014 May 18;50(38):4904-7. doi: 10.1039/c4cc00967c.

Abstract

Combining computer-assisted drug design and synthetic efforts, we generated compounds with potent and balanced activities toward both D3 dopamine receptor and fatty acid amide hydrolase (FAAH) enzyme. By concurrently modulating these targets, our compounds hold great potential toward exerting a disease-modifying effect on nicotine addiction and other forms of compulsive behavior.

Publication types

  • Research Support, N.I.H., Extramural

MeSH terms

  • Amidohydrolases / antagonists & inhibitors*
  • Amidohydrolases / metabolism
  • Animals
  • Binding Sites
  • Dopamine Agonists / chemistry
  • Dopamine Agonists / metabolism
  • Drug Design*
  • Enzyme Inhibitors / chemistry
  • Enzyme Inhibitors / metabolism
  • Humans
  • Molecular Docking Simulation
  • Protein Binding
  • Protein Structure, Tertiary
  • Rats
  • Receptors, Dopamine D3 / agonists*
  • Receptors, Dopamine D3 / metabolism

Substances

  • Dopamine Agonists
  • Enzyme Inhibitors
  • Receptors, Dopamine D3
  • Amidohydrolases
  • fatty-acid amide hydrolase