Product Description
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.
About the Author
Nathan Brown is the Head of the In Silico Medicinal Chemistry Group within the Cancer Therapeutics Unit at The Institute of Cancer Research in Sutton (UK). He conducted his doctoral research with Prof. Peter Willett at the University of Sheffield, before moving to Amsterdam (The Netherlands) for a Marie Curie fellowship in collaboration with Prof. Johann Gasteiger. This was followed by a Presidential fellowship at Novartis in Basel (Switzerland). Dr. Brown has published in a wide range of areas of computational chemistry, most notably de novo design and molecular descriptors.