The utility of structural biology in drug discovery -- Leslie W. Tari Genetic construct design and recombinant protein expression for structural biology -- Suzanne C. Edavettal, Michael J. Hunter, and Ronald V. Swanson Purification of proteins for crystallographic applications -- Daniel C. Bensen Protein crystallization for structure-based drug design -- Isaac D. Hoffman X-ray sources and high-throughput data collection methods -- Gyorgy Snell The use of molecular graphics in structure-based drug design -- Paul Emsley and Judit É. Debreczeni Crystallographic fragment screening -- John Badger The role of enzymology in a structure-based drug discovery program : bacterial DNA gyrase -- Mark L. Cunningham Leveraging structural information for the discovery of new drugs : computational methods -- Toan B. Nguyen, Sergio E. Wong, and Felice C. Lightstone Chemical informatics : using molecular shape descriptors in structure-based drug design -- Andy Jennings Accounting for solvent in structure-based drug design -- Leslie W. Tari Structure-based drug design on membrane protein targets : human integral membrane protein 5-lipoxygenase-activating protein -- Andrew D. Ferguson Application of SBDD to the discovery of new antibacterial drugs -- John Finn Leveraging SBDD in protein therapeutic development : antibody engineering -- Gary L. Gilliland ... [et al.] A medicinal chemistry perspective on structure-based drug design and development -- Shawn P. Maddaford. The last decade has seen the confluence of several enabling technologies that have allowed protein crystallographic methods to live up to their true potential. Taken together, the numerous recent advances have made it possible to tackle difficult biological targets with a high probability of success: intact bacterial ribosomes have been structurally elucidated, as well as eukaryotic trans-membrane proteins like the potassium channel and GPCRs. It is now possible for medicinal chemists to have access to structural information on their latest small molecule candidates bound to the therapeutic target within days of compound synthesis, allowing structure guided ligand optimization to occur in "real time". Structure-Based Drug Discovery presents an array of methods used to generate crystal structures of biological macromolecules, how to leverage the structural information to design novel ligands anew, and how to iteratively optimize hits and convert them to leads. Written in the successful Methods in Molecular BiologyTM series format, chapters include introductions to their respective topics, lists of the necessary materials and reagents, step-by-step, readily reproducible protocols, and notes on troubleshooting and avoiding known pitfalls. Authoritative and easily accessible, Structure-Based Drug Discovery aims to provide scientists interested in adding SBDD to their arsenal of drug discovery methods with well-honed, up-to-date methodologies
