Receptor-Based Molecular Diversity: Analysis of HIV Protease Inhibitors

  • Tim D. J. Perkins
  • Nasfim Haque
  • Philip M. Dean
Chapter

Abstract

Focused combinatorial libraries are a useful way of approaching structure-based drug design, but they may show unexpected bias in exploring the receptor site. One way to monitor this coverage is by assessing which hydrogen-bonding groups at the receptor site are used by each ligand in the library. In this communication, we present an analysis of the hydrogen bonds formed between inhibitor and enzyme in a set of HIV protease complexes. These data are a model for a larger combinatorial library, and have allowed us to develop methods for receptor-based diversity analysis.

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References

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Copyright information

© Springer Science+Business Media New York 2000

Authors and Affiliations

  • Tim D. J. Perkins
    • 1
  • Nasfim Haque
    • 1
    • 1
  • Philip M. Dean
    • 1
  1. 1.Drug Design Group Department of PharmacologyUniversity of CambridgeCambridgeUK

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