The rational design of inhibitors of nitric oxide formation by inducible nitric oxide synthase

Bioorg Med Chem Lett. 2007 May 1;17(9):2505-8. doi: 10.1016/j.bmcl.2007.02.018. Epub 2007 Feb 9.

Abstract

A series of compounds was rationally designed as inhibitors of dimer formation of the inducible isoform of nitric oxide synthase, and subsequent nitric oxide production. The conformation of two fragments obtained from a crystal structure was utilized to design a tether connecting those same two fragments. The resulting compounds were potent dimerization inhibitors that bound to the enzyme in a similar conformation as the fragments.

MeSH terms

  • Binding Sites
  • Cell Line, Tumor
  • Chemistry, Pharmaceutical / methods
  • Crystallization
  • Crystallography, X-Ray
  • Dimerization
  • Drug Design
  • Enzyme Inhibitors / chemical synthesis*
  • Enzyme Inhibitors / pharmacology
  • Humans
  • Models, Chemical
  • Molecular Conformation
  • Nitric Oxide Synthase Type II / antagonists & inhibitors*

Substances

  • Enzyme Inhibitors
  • Nitric Oxide Synthase Type II