Ligand Design for G Protein-coupled Receptors / Edition 1
G protein-coupled receptors (GPCRs) are one of the most important target classes in pharmacology and are the target of many blockbuster drugs. Yet only with the recent elucidation of the rhodopsin structure have these receptors become amenable to a rational drug design. Based on recent examples from academia and the pharmaceutical industry, this book demonstrates how to apply the whole range of bioinformatics, chemoinformatics and molecular modeling tools to the rational design of novel drugs targeting GPCRs. Essential reading for medicinal chemists and drug designers working with this largest class of drug targets in the human genome.
GPCRs in the human genome GPCR Three-dimensional structures: from bovine rhodopsin to homology models Orphan GPCRs and ligand design GPCR databases: From genes to proteins, from proteins to ligands Druggability of human GPCRs Molecular Mechanisms of GPCR activation & Oligomerisation Allosteric regulation of GPCRs Ligand-Based rational design Receptor-based rational design Chemogenomics approaches to ligand design and target priorisation GPCR targeted libraries and privileged structures