15. Prospects of Modulating Protein–Protein Interactions

  1. Prof. Dr. Holger Gohlke
  1. Shijun Zhong1,
  2. Taiji Oashi2,
  3. Wenbo Yu2,
  4. Paul Shapiro2 and
  5. Alexander D. MacKerell Jr.2

Published Online: 20 APR 2012

DOI: 10.1002/9783527645947.ch15

Protein-Ligand Interactions, First Edition

Protein-Ligand Interactions, First Edition

How to Cite

Zhong, S., Oashi, T., Yu, W., Shapiro, P. and MacKerell, A. D. (2012) Prospects of Modulating Protein–Protein Interactions, in Protein-Ligand Interactions, First Edition (ed H. Gohlke), Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim, Germany. doi: 10.1002/9783527645947.ch15

Editor Information

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

Author Information

  1. 1

    School of Life Science and Technology, Dalian University of Technology, 2 Linggong Road, Dalian, Liaoning Province, 116024, China

  2. 2

    University of Maryland Baltimore, School of Pharmacy, Department of Pharmaceutical Sciences, 20 Penn Street, Baltimore, MD 21201, USA

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 Mannhold4,
  2. Prof. Dr. Hugo Kubinyi5 and
  3. Prof. Dr. Gerd Folkers6

Series Editor Information

  1. 4

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

  2. 5

    Donnersbergstrasse 9, 67256 Weisenheim am Sand, Germany

  3. 6

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

ISBN Information

Print ISBN: 9783527329663

Online ISBN: 9783527645947

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Keywords:

  • binding free energy;
  • drug design;
  • protein–ligand complexes;
  • protein–protein interactions;
  • small-molecule inhibitors;
  • structure–activity relationships;
  • database screening;
  • computer-aided drug design

Summary

This chapter contains sections titled:

  • Introduction

  • Thermodynamics of Protein–Protein Interactions

  • CADD Methods for the Identification and Optimization of Small-Molecule Inhibitors of PPIs

  • Examples of CADD Applied to PPIs

  • Summary

  • Acknowledgments

  • References