Development of inhibitors of plasminogen activator inhibitor-1

Methods Enzymol. 2011:501:177-207. doi: 10.1016/B978-0-12-385950-1.00009-2.

Abstract

Plasminogen activator inhibitor-1 (PAI-1) belongs to the serine protease inhibitor super family (serpin) and is the primary inhibitor of both the tissue-type (tPA) and urokinase-type (uPA) plasminogen activators. PAI-1 has been implicated in a wide range of pathological processes where it may play a direct role in a variety of diseases. These observations have made PAI-1 an attractive target for small molecule drug development. However, PAI-1's structural plasticity and its capacity to interact with multiple ligands have made the identification and development of such small molecule PAI-1 inactivating agents challenging. In the following pages, we discuss the difficulties associated with screening for small molecule inactivators of PAI-1, in particular, and of serpins, in general. We discuss strategies for high-throughput screening (HTS) of chemical and natural product libraries, and validation steps necessary to confirm identified hits. Finally, we describe steps essential to confirm specificity of active compounds, and strategies to examine potential mechanisms of compound action.

MeSH terms

  • Binding Sites
  • Chemistry, Pharmaceutical / methods*
  • Drug Design*
  • Fluorescent Dyes / analysis
  • High-Throughput Screening Assays*
  • Humans
  • Hydrophobic and Hydrophilic Interactions
  • Kinetics
  • Models, Molecular
  • Molecular Targeted Therapy
  • Plasminogen Activator Inhibitor 1 / chemistry
  • Plasminogen Activator Inhibitor 1 / metabolism*
  • Protein Binding / drug effects
  • Protein Folding / drug effects
  • Protein Structure, Secondary / drug effects
  • Protein Structure, Tertiary / drug effects
  • Small Molecule Libraries / chemistry
  • Small Molecule Libraries / metabolism*
  • Small Molecule Libraries / pharmacology
  • Substrate Specificity

Substances

  • Fluorescent Dyes
  • Plasminogen Activator Inhibitor 1
  • Small Molecule Libraries