The discovery of glycine and related amino acid-based factor Xa inhibitors

Bioorg Med Chem. 2006 Jul 1;14(13):4379-92. doi: 10.1016/j.bmc.2006.02.040. Epub 2006 Mar 10.

Abstract

Herein, we report on the identification of three potent glycine and related amino acid-based series of FXa inhibitors containing a neutral P1 chlorophenyl pharmacophore. A X-ray crystal structure has shown that constrained glycine derivatives with optimized N-substitution can greatly increase hydrophobic interactions in the FXa active site. Also, the substitution of a pyridone ring for a phenylsulfone ring in the P4 sidechain resulted in an inhibitor with enhanced oral bioavailability.

MeSH terms

  • Crystallography, X-Ray
  • Factor Xa / chemistry*
  • Factor Xa Inhibitors*
  • Glycine / analogs & derivatives*
  • Glycine / chemistry*
  • Humans
  • Molecular Structure
  • Protein Conformation
  • Serine Proteinase Inhibitors / chemistry*

Substances

  • Factor Xa Inhibitors
  • Serine Proteinase Inhibitors
  • Factor Xa
  • Glycine