Quinuclidine inhibitors of 2,3-oxidosqualene cyclase-lanosterol synthase: optimization from lipid profiles

J Med Chem. 1999 Apr 8;42(7):1306-11. doi: 10.1021/jm990038q.

Abstract

Novel 3-substituted quinuclidine inhibitors of cholesterol biosynthesis are reported. Compounds were optimized against oxidosqualene cyclase-lanosterol synthase (OSC) inhibition in vivo, rather than by the conventional optimization of structure-activity relationship information based on in vitro OSC inhibition. Thus, examination of HPLC lipid profiles from orally dosed rats showed cholesterol biosynthetic intermediates and whether cholesterol levels were reduced. A new substituted quinuclidine pharmacophore 18a-c was rapidly found for the inhibition of OSC, and the most promising inhibitors were validated by the confirmation of potent OSC inhibition. Compound 16 gave an IC50 value of 83 +/- 11 nM for human and an IC50 value of 124 +/- 14 nM, for rat, coupled with oral and selective inhibition of cholesterol biosynthesis derived from OSC inhibition (rat, ED50 = 1.3 +/- 0.7 mg/kg, n = 5; marmoset, 15 mg/kg dose, n = 3, caused complete inhibition). These 3-substituted quinuclidines, which were derived from a quinuclidine series previously known to inhibit cholesterol biosynthesis at the squalene synthase step, may afford a novel series of hypocholesterolemic agents acting by the inhibition of OSC.

MeSH terms

  • Administration, Oral
  • Animals
  • Anticholesteremic Agents / chemical synthesis*
  • Anticholesteremic Agents / chemistry
  • Anticholesteremic Agents / pharmacology
  • Callithrix
  • Chromatography, High Pressure Liquid
  • Enzyme Inhibitors / chemical synthesis*
  • Enzyme Inhibitors / chemistry
  • Enzyme Inhibitors / pharmacology
  • Humans
  • In Vitro Techniques
  • Intramolecular Transferases / antagonists & inhibitors*
  • Lipid Metabolism*
  • Lipids / analysis
  • Liver / chemistry
  • Liver / drug effects
  • Male
  • Microsomes / drug effects
  • Microsomes / metabolism
  • Quinuclidines / chemical synthesis*
  • Quinuclidines / chemistry
  • Quinuclidines / pharmacology
  • Rats
  • Structure-Activity Relationship

Substances

  • Anticholesteremic Agents
  • Enzyme Inhibitors
  • Lipids
  • Quinuclidines
  • Intramolecular Transferases
  • lanosterol synthase