Bioisosteres in Medicinal Chemistry

Bioisosteres in Medicinal Chemistry

Editor(s): Nathan Brown

Published Online: 3 AUG 2012 05:52AM EST

Print ISBN: 9783527330157

Online ISBN: 9783527654307

DOI: 10.1002/9783527654307

Series Editor(s): Raimund Mannhold, Hugo Kubinyi, Gerd Folkers

About this Book

Written with the practicing medicinal chemist in mind, this is the first modern handbook to systematically address the topic of bioisosterism.
As such, it provides a ready reference on the principles and methods of bioisosteric replacement as a key tool in preclinical drug development.

The first part provides an overview of bioisosterism, classical bioisosteres and typical molecular interactions that need to be considered,
while the second part describes a number of molecular databases as sources of bioisosteric identification and rationalization. The third part
covers the four key methodologies for bioisostere identification and replacement: physicochemical properties, topology, shape, and overlays of
protein-ligand crystal structures. In the final part, several real-world examples of bioisosterism in drug discovery projects are discussed.

With its detailed descriptions of databases, methods and real-life case studies, this is tailor-made for busy industrial researchers with little time for reading, while remaining easily accessible to novice drug developers due to its systematic structure and introductory section.

Table of contents

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  1. Part One: Principles

  2. Part Two: Data

    1. Chapter 5

      Mining the Cambridge Structural Database for Bioisosteres (pages 75–101)

      Colin R. Groom, Tjelvar S. G. Olsson, John W. Liebeschuetz, David A. Bardwell, Ian J. Bruno and Frank H. Allen

  3. Part Three: Methods

  4. Part Four: Applications

    1. Chapter 11

      The Drug Guru Project (pages 183–198)

      Kent D. Stewart, Jason Shanley, Karam B. Alsayyed Ahmed and J. Phillip Bowen

    2. Chapter 13

      Perspectives from Medicinal Chemistry (pages 217–230)

      Nicholas A. Meanwell, Marcus Gastreich, Matthias Rarey, Mike Devereux, Paul L. A. Popelier, Gisbert Schneider and Peter Willett

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