13. Druggability Prediction

  1. Prof. Dr. Holger Gohlke
  1. Daniel Alvarez-Garcia1,2,
  2. Jesus Seco1,2,
  3. Peter Schmidtke1,2 and
  4. Xavier Barril1,2,3

Published Online: 20 APR 2012

DOI: 10.1002/9783527645947.ch13

Protein-Ligand Interactions, First Edition

Protein-Ligand Interactions, First Edition

How to Cite

Alvarez-Garcia, D., Seco, J., Schmidtke, P. and Barril, X. (2012) Druggability Prediction, in Protein-Ligand Interactions, First Edition (ed H. Gohlke), Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim, Germany. doi: 10.1002/9783527645947.ch13

Editor Information

  1. Heinrich-Heine-Universität, Inst.für Pharmaz. + Med.Chemie, Universitätsstr. 1, 40225 Düsseldorf, Germany

Author Information

  1. 1

    Universitat de Barcelona, Facultat de Farmàcia, Departament de Fisicoquímica, Av. Joan XXIII s/n, 08028 Barcelona, Spain

  2. 2

    Institut de Biomedicina de la Universitat de Barcelona (IBUB), Barcelona, Spain

  3. 3

    Catalan Institution for Research and Advanced Studies (ICREA), Passeig Lluís Companys 23, 08010 Barcelona, Spain

Publication History

  1. Published Online: 20 APR 2012
  2. Published Print: 18 APR 2012

Book Series:

  1. Methods and Principles in Medicinal Chemistry

Book Series Editors:

  1. Prof. Dr. Raimund Mannhold5,
  2. Prof. Dr. Hugo Kubinyi6 and
  3. Prof. Dr. Gerd Folkers7

Series Editor Information

  1. 5

    Molecular Drug Research Group, Heinrich-Heine-Universität, Universitätsstrasse 1, 40225 Düsseldorf, Germany

  2. 6

    Donnersbergstrasse 9, 67256 Weisenheim am Sand, Germany

  3. 7

    Collegium Helveticum, STW/ETH Zurich, 8092 Zurich, Switzerland

ISBN Information

Print ISBN: 9783527329663

Online ISBN: 9783527645947

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Keywords:

  • binding site;
  • drug design;
  • druggability;
  • high-throughput screening;
  • ligand;
  • molecular recognition

Summary

This chapter contains sections titled:

  • Introduction

  • Druggability: Ligand Properties

  • Druggability: Ligand Binding

  • Druggability Prediction by Protein Class

  • Druggability Predictions: Experimental Methods

  • Druggability Predictions: Computational Methods

  • A Test Case: PTP1B

  • Outlook and Concluding Remarks

  • References