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MORE ABOUT THIS BOOK
Main description:
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 (TM) 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.
Contents:
Part I: General Topics
1. Historical Overview of Chemical Library Design
Roland E. Dolle
2. Chemoinformatics and Library Design
Joe Zhongxiang Zhou
3. Molecular Library Design Using Multi-Objective Optimization Methods
Christos A Nicolaou and Christos C. Kannas
4. A Scalable Approach to Combinatorial Library Design
Puneet Sharma, Srinivasa Salapaka, and Carolyn Beck
5. Application of Free-Wilson Selectivity Analysis for Combinatorial Library Design
Simone Sciabola, Robert V. Stanton, Theresa L. Johnson, and Hualin Xi
6. Application of QSAR and Shape Pharmacophore Modeling Approaches for Targeted Chemical Library Design
Jerry O. Ebalunode, Weifan Zheng, and Alexander Tropsha
7. Combinatorial Library Design from Reagent Pharmacophore Fingerprints
Hongming Chen, Ola Engkvist, and Niklas Blomberg
Part II: Structure-Based Library Design
8. Docking Methods for Structure-Based Library Design
Claudio N. Cavasotto and Sharangdhar S. Phatak
9. Structure-Based Library Design in Efficient Discovery of Novel Inhibitors
Shunqi Yan and Robert Selliah
10. Structure-Based and Property-Compliant Library Design of 11 -HSD1 Adamantyl Amide Inhibitors
Genevieve D. Paderes, Klaus Dress, Buwen Huang, Jeff Elleraas, Paul A. Rejto, and Tom Pauly
Part III: Fragment-Based Library Design
11. Design of Screening Collections for Successful Fragment-Based Lead Discovery
James Na and Qiyue Hu
12. Fragment-Based Drug Design
Eric Feyfant, Jason Cross, Kevin Paris, and Desiree H.H. Tsao
13. LEAP into the Pfizer Global Virtual Library (PGVL) Space: Creation of Readily Synthesizable Design Ideas Automatically
Qiyue Hu, Zhengwei Peng, Jaroslav Kostrowicki, and Atsuo Kuki
Part IV: Library Design for Kinase Family
14. The Design, Annotation, and Application of a Kinase-Targeted-Library
Hualin Xi and Elizabeth A. Lunney
Part V: Library Design Tools
15. PGVL Hub: An Integrated Desktop Tool for Medicinal Chemists to Streamline Design and Synthesis of Chemical Libraries and Singleton Compounds
Zhengwei Peng, Bo Yang, Sarathy Mattaparti, Thom Shulok, Thomas Thacher, James Kong, Jaroslav Kostrowicki, Qiyue Hu, James Na, Joe Zhongxiang Zhou, David Klatte, Bo Chao, Shogo Ito, John Clark, Nunzio Sciammetta, Bob Coner, Chris Waller, and Atsuo Kuki
16. Design of Targeted Libraries Against the Human Chk1 Kinase Using PGVL Hub
Zhengwei Peng and Qiyue Hu
17. GLARE: A Tool for Product-Oriented Design of Combinatorial Libraries
Jean-Francois Truchon
18. CLEVER: A General Design Tool for Combinatorial Libraries
Tze Hau Lam, Paul H. Bernardo, Christina L. L. Chai, and Joo Chuan Tong
PRODUCT DETAILS
Publisher: Springer (Humana Press Inc.)
Publication date: October, 2010
Pages: 350
Weight: 896g
Availability: Available
Subcategories: Biochemistry
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