Discovery of a new cyclooxygenase-2 lead compound through 3-D database searching and combinatorial chemistry

Bioorg Med Chem Lett. 1998 Mar 3;8(5):529-34. doi: 10.1016/s0960-894x(98)00068-7.

Abstract

Using a combination of computational and combinatorial chemistry methodologies, a phenothiazine compound was discovered that is a selective inhibitor of cyclooxygenase-2 and serves as a lead compound for a potentially novel series of anti-inflammatory compounds.

MeSH terms

  • Binding Sites
  • Cyclooxygenase 2
  • Database Management Systems*
  • Isoenzymes / chemistry*
  • Prostaglandin-Endoperoxide Synthases / chemistry*
  • Protein Conformation

Substances

  • Isoenzymes
  • Cyclooxygenase 2
  • Prostaglandin-Endoperoxide Synthases