Chapter 19. Efficient Strategies for Lead Optimization by Simultaneously Addressing Affinity, Selectivity and Pharmacokinetic Parameters

  1. Prof. Dr. Thomas Lengauer
  1. Karl-Heinz Baringhaus,
  2. Hans Matter

Published Online: 5 FEB 2008

DOI: 10.1002/9783527619368.ch19

Book Title

Bioinformatics - From Genomes to Therapies

Bioinformatics - From Genomes to Therapies

Additional Information

How to Cite

Baringhaus, K.-H. and Matter, H. (2008) Efficient Strategies for Lead Optimization by Simultaneously Addressing Affinity, Selectivity and Pharmacokinetic Parameters, in Bioinformatics - From Genomes to Therapies (ed T. Lengauer), Wiley-VCH Verlag GmbH, Weinheim, Germany. doi: 10.1002/9783527619368.ch19

Editor Information

  1. Max-Planck-Institute for Informatics, Stuhlsatzenhausweg 85, 66123 Saarbrücken, Germany

Publication History

  1. Published Online: 5 FEB 2008
  2. Published Print: 11 JAN 2007

ISBN Information

Print ISBN: 9783527312788

Online ISBN: 9783527619368

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CHAPTER TOOLS

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Keywords:

  • pharmacokinetic;
  • physicochemical;
  • optimization;
  • druggability;
  • protocol

Summary

This chapter contains sections titled:

  • Introduction

  • The Origin of Lead Structures

  • Optimization for Affinity and Selectivity

  • Addressing Pharmacokinetic Problems

  • ADME/AntitargetModels for Lead Optimization

  • Integrated Approach

  • Conclusions

  • References

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