Bioisosteres in medicinal chemistry

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 numberof 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. INDICE: PRINCIPLES OF BIOISOSTERISMBioisosterism in Medicinal ChemistryClassical Bioisosteres in Medicinal ChemistryMolecular Interactions in BioisosteresConsequences of Bioisosteric ReplacementDATABASESBIOSTER DatabaseMining the Cambridge Structure Database for BioisosteresIdentifying Bioisosteres from theMedicinal Chemistry LiteratureMining Context-Sensitive Bioisosteric PairsMETHODS TO IDENTIFY BIOISOSTERESPhysicochemical PropertiesMolecular TopologyMolecular ShapeProtein StructureAPPLICATIONSOptimization of Oxytocin Receptor AntagonistsDesigen of Selective Fatty Acid Amide Hydrolase Inhibitors

• ISBN: 978-3-527-33015-7
• Editorial: Wiley-VCH
• Encuadernacion: Cartoné
• Páginas: 256
• Fecha Publicación: 22/08/2012
• Nº Volúmenes: 1
• Idioma: Inglés