Bioisosteres In Medicinal Chemistry Raimund Mannhold Hugo Kubinyi by Raimund Mannhold, Hugo Kubinyi, Gerd Folkers(eds.) 9783527330157, 9783527654307, 3527330151, 3527654305 instant download after payment.

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.Content:
Chapter 1 Bioisosterism in Medicinal Chemistry (pages 1–14): Dr. Nathan Brown
Chapter 2 Classical Bioisosteres (pages 15–29): Caterina Barillari and Dr. Nathan Brown
Chapter 3 Consequences of Bioisosteric Replacement (pages 31–51): Dennis A. Smith and David S. Millan
Chapter 4 Bioster: A Database of Bioisosteres and Bioanalogues (pages 53–74): Istvan Ujvary and Julian Hayward
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
Chapter 6 Mining for Context?Sensitive Bioisosteric Replacements in Large Chemical Databases (pages 103–127): George Papadatos, Michael J. Bodkin, Valerie J. Gillet and Peter Willett
Chapter 7 Physicochemical Properties (pages 129–139): Peter Ertl
Chapter 8 Molecular Topology (pages 141–153): Dr. Nathan Brown
Chapter 9 Molecular Shape (pages 155–166): Pedro J. Ballester and Dr. Nathan Brown
Chapter 10 Protein Structure (pages 167–181): James E. J. Mills
Chapter 11 The Drug Guru Project (pages 183–198): Kent D. Stewart, Jason Shanley, Karam B. Alsayyed Ahmed and J. Phillip Bowen
Chapter 12 Bioisosteres of an NPY?Y5 Antagonist (pages 199–215): Nicholas P. Barton and Benjamin R. Bellenie
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