Chemical Library Design

  • Joe Zhongxiang Zhou

Part of the Methods in Molecular Biology book series (MIMB, volume 685)

Table of contents

  1. Front Matter
    Pages i-x
  2. General Topics

    1. Front Matter
      Pages 1-1
    2. Joe Zhongxiang Zhou
      Pages 27-52
    3. Christos A. Nicolaou, Christos C. Kannas
      Pages 53-69
    4. Puneet Sharma, Srinivasa Salapaka, Carolyn Beck
      Pages 71-89
    5. Simone Sciabola, Robert V. Stanton, Theresa L. Johnson, Hualin Xi
      Pages 91-109
    6. Jerry O. Ebalunode, Weifan Zheng, Alexander Tropsha
      Pages 111-133
    7. Hongming Chen, Ola Engkvist, Niklas Blomberg
      Pages 135-152
  3. Structure-Based Library Design

    1. Front Matter
      Pages 153-153
    2. Claudio N. Cavasotto, Sharangdhar S. Phatak
      Pages 155-174
    3. Genevieve D. Paderes, Klaus Dress, Buwen Huang, Jeff Elleraas, Paul A. Rejto, Tom Pauly
      Pages 191-215
  4. Fragment-Based Library Design

    1. Front Matter
      Pages 217-217
    2. Eric Feyfant, Jason B. Cross, Kevin Paris, Désirée H.H. Tsao
      Pages 241-252
  5. Library Design for Kinase Family

    1. Front Matter
      Pages 277-277
    2. Hualin Xi, Elizabeth A. Lunney
      Pages 279-291
  6. Library Design Tools

    1. Front Matter
      Pages 293-293
    2. Zhengwei Peng, Bo Yang, Sarathy Mattaparti, Thom Shulok, Thomas Thacher, James Kong et al.
      Pages 295-320
    3. Tze Hau Lam, Paul H. Bernardo, Christina L.L. Chai, Joo Chuan Tong
      Pages 347-356
  7. Back Matter
    Pages 357-362

About this book


Chemical library technologies have brought about dramatic changes in the drug discovery process, and, though still evolving, they have become an integral part of ongoing drug discovery research. In Chemical Library Design, experts in the field provide methods and detailed protocols delving into this key process of selecting useful, biologically relevant compounds from large pools of synthesizable candidates. This compendium includes chapters on historical overviews, state-of-the-art methodologies, including structure-based and fragment-based library design, practical software tools, and successful and important applications of chemical library design. As a volume in the popular Methods in Molecular Biology™ series, the thorough contributions provide the kind of meticulous description and implementation advice that is crucial for getting optimal results. Authoritative and cutting-edge, Chemical Library Design is an ideal reference for all scientists seeking the technology needed to aid in the search for new and vital drugs.


Chemoinformatics Combinatorial libraries Drug discovery process Fragment-based library design High throughput screening Pharmaceutical design Software tools Structure-based library design

Editors and affiliations

  • Joe Zhongxiang Zhou
    • 1
  1. 1., Department of PharmacologyUniversity of CaliforniaLa JollaUSA

Bibliographic information

  • DOI
  • Copyright Information Springer-Science+Business Media, LLC 2011
  • Publisher Name Humana Press
  • eBook Packages Springer Protocols
  • Print ISBN 978-1-60761-930-7
  • Online ISBN 978-1-60761-931-4
  • Series Print ISSN 1064-3745
  • Series Online ISSN 1940-6029
  • Buy this book on publisher's site