Synthesis, Pharmacology, and Molecular Docking Studies on 6-Desoxo-N-methylmorphinans as Potent μ-Opioid Receptor Agonists

J Med Chem. 2017 Nov 22;60(22):9407-9412. doi: 10.1021/acs.jmedchem.7b01363. Epub 2017 Nov 3.

Abstract

Position 6 of the morphinan skeleton plays a key role in the μ-opioid receptor (MOR) activity in vitro and in vivo. We describe the consequence of the 6-carbonyl group deletion in N-methylmorphinan-6-ones 1-4 on ligand-MOR interaction, signaling, and antinociception. While 6-desoxo compounds 1a, 2a, and 4a show similar profiles to their 6-keto counterparts, the 6-desoxo-14-benzyloxy substituted 3a displays significantly increased MOR binding and agonist potency and a distinct binding mode compared with its analogue 3.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Analgesics / chemical synthesis
  • Analgesics / pharmacology*
  • Animals
  • CHO Cells
  • Cell Membrane / physiology
  • Cricetulus
  • Enkephalin, Ala(2)-MePhe(4)-Gly(5)- / pharmacology
  • Guanosine 5'-O-(3-Thiotriphosphate) / physiology
  • Ligands
  • Molecular Docking Simulation
  • Morphinans / chemical synthesis
  • Morphinans / pharmacology*
  • Receptors, Opioid, delta / agonists
  • Receptors, Opioid, kappa / agonists
  • Receptors, Opioid, mu / agonists*
  • Receptors, Opioid, mu / chemistry
  • Receptors, Opioid, mu / metabolism
  • Structure-Activity Relationship

Substances

  • Analgesics
  • Ligands
  • Morphinans
  • Receptors, Opioid, delta
  • Receptors, Opioid, kappa
  • Receptors, Opioid, mu
  • Enkephalin, Ala(2)-MePhe(4)-Gly(5)-
  • Guanosine 5'-O-(3-Thiotriphosphate)