Design of novel nicotinic ligands through 3D database searching

Bioorg Med Chem. 2005 Feb 1;13(3):799-807. doi: 10.1016/j.bmc.2004.10.039.

Abstract

A series of quinoline derivatives have been designed on the basis of results from a 3D search of the Cambridge Structural Database using the nicotinic pharmacophore as a query and further modified using molecular modeling. Some of the synthesized compounds show nanomolar affinity for the central nicotinic receptor on rat cerebral cortex.

MeSH terms

  • Gas Chromatography-Mass Spectrometry
  • Information Storage and Retrieval*
  • Ligands
  • Magnetic Resonance Spectroscopy
  • Models, Molecular
  • Quinolines / chemistry
  • Quinolines / metabolism*
  • Receptors, Nicotinic / metabolism*

Substances

  • Ligands
  • Quinolines
  • Receptors, Nicotinic