Overview

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.

Full Product Details

Author:   Joe Zhongxiang Zhou
Publisher:   Humana Press Inc.
Imprint:   Humana Press Inc.
Edition:   2011
Volume:   685
Dimensions:   Width: 17.80cm , Height: 2.50cm , Length: 25.40cm
Weight:   0.896kg
ISBN:  

9781607619307

ISBN 10:   160761930
Pages:   362
Publication Date:   28 October 2010
Audience:   Professional and scholarly ,  Professional & Vocational
Format:   Hardback
Publisher's Status:   Active
Availability:   In Print  
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Table of Contents

Historical Overview of Chemical Library Design.- Chemoinformatics and Library Design.- Molecular Library Design Using Multi-Objective Optimization Methods.- A Scalable Approach to Combinatorial Library Design.- Application of Free-Wilson Selectivity Analysis for Combinatorial Library Design.- Application of QSAR and Shape Pharmacophore Modeling Approaches for Targeted Chemical Library Design.- Combinatorial Library Design from Reagent Pharmacophore Fingerprints.- Docking Methods for Structure-Based Library Design.- Structure-Based Library Design in Efficient Discovery of Novel Inhibitors.- Structure-Based and Property-Compliant Library Design of 11-HSD1 Adamantyl Amide Inhibitors.- Design of Screening Collections for Successful Fragment-Based Lead Discovery.- Fragment-Based Drug Design.- LEAP into the Pfizer Global Virtual Library (PGVL) Space: Creation of Readily Synthesizable Design Ideas Automatically.- The Design, Annotation, and Application of a Kinase-Targeted-Library.- PGVL Hub: An Integrated Desktop Tool for Medicinal Chemists to Streamline Design and Synthesis of Chemical Libraries and Singleton Compounds.- Design of Targeted Libraries Against the Human Chk1 Kinase Using PGVL Hub.- GLARE: A Tool for Product-Oriented Design of Combinatorial Libraries.- CLEVER: A General Design Tool for Combinatorial Libraries.

Reviews

From the reviews: This book contains 18 chapters divided into five sections. ! great interest to investigators designing and synthesizing chemical libraries. ! would be exceedingly useful to programmers or designers interested in developing combinatorial chemical library software utilities and, as such, will appeal to that audience. ! very useful to a broad audience interested in chemical library design ! . it is easy to read. ! a valuable resource that should be educational and serve as a good resource for those interested in Chemical Library Design. (David L. Roman, Journal of Medicinal Chemistry, Vol. 54 (12), 2011)

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