8. Halogen…π Interactions as Important Contributors to Binding Affinity in Medicinal Chemistry

  1. Edward R. T. Tiekink2 and
  2. Julio Zukerman-Schpector3
  1. Hans Matter,
  2. Marc Nazaré and
  3. Stefan Güssregen

Published Online: 22 MAR 2012

DOI: 10.1002/9781119945888.ch8

The Importance of Pi-Interactions in Crystal Engineering: Frontiers in Crystal Engineering

The Importance of Pi-Interactions in Crystal Engineering: Frontiers in Crystal Engineering

How to Cite

Matter, H., Nazaré, M. and Güssregen, S. (2012) Halogen…π Interactions as Important Contributors to Binding Affinity in Medicinal Chemistry, in The Importance of Pi-Interactions in Crystal Engineering: Frontiers in Crystal Engineering (eds E. R. T. Tiekink and J. Zukerman-Schpector), John Wiley & Sons, Ltd, Chichester, UK. doi: 10.1002/9781119945888.ch8

Editor Information

  1. 2

    Department of Chemistry, The University of Malaya, Kuala Lumpur, Malaysia

  2. 3

    Department of Chemistry, Federal University of São Carlos, São Carlos, Brazil

Author Information

  1. Sanofi-Aventis Deutschland GmbH, Industriepark Hoechst, Frankfurt am Main, Germany

Publication History

  1. Published Online: 22 MAR 2012
  2. Published Print: 30 MAR 2012

ISBN Information

Print ISBN: 9780470688274

Online ISBN: 9781119945888

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Keywords:

  • halogen…π interactions;
  • binding affinity;
  • molecular recognition;
  • virtual screening;
  • higher halogen atoms;
  • σ-hole electrostatic potential;
  • ab-initio calculations;
  • drug-discovery projects

Summary

This chapter contains sections titled:

  • Introduction

  • General Aspects of Halogen Atoms in Medicinal Chemistry

  • Fluorine: A Unique Halogen Atom

  • Interactions of Higher Halogen Atoms

  • Interactions of Higher Halogen Atoms to Aromatic Rings

  • Conclusions

  • References