Structure-Based Drug Discovery by Leslie W. TariStructure-Based Drug Discovery by Leslie W. Tari

Structure-Based Drug Discovery

EditorLeslie W. Tari

Hardcover | January 6, 2012

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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 BiologyT 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.
Title:Structure-Based Drug DiscoveryFormat:HardcoverDimensions:394 pagesPublished:January 6, 2012Publisher:Humana PressLanguage:English

The following ISBNs are associated with this title:

ISBN - 10:1617795194

ISBN - 13:9781617795190

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Table of Contents

1. The Utility of Structural Biology in Drug Discovery                Leslie W. Tari 2. Genetic Construct Design and Recombinant Protein Expression for Structural Biology                Suzanne C. Edavettal, Michael J. Hunter, and Ronald V. Swanson 3. Purification of Proteins for Crystallographic Applications                Daniel C. Bensen 4. Protein Crystallization for Structure-Based Drug Design                Isaac D. Hoffman 5. X-Ray Sources and High-Throughput Data Collection Methods                Gyorgy Snell 6. The Use of Molecular Graphics in Structure-Based Drug Design                 Paul Emsley and Judit É. Debreczeni 7. Crystallographic Fragment Screening                John Badger 8. The Role of Enzymology in a Structure-Based Drug Discovery Program: Bacterial DNA Gyrase                Mark L. Cunningham 9. Leveraging Structural Information for the Discovery of New Drugs: Computational Methods                Toan B. Nguyen, Sergio E. Wong, and Felice C. Lightstone 10. Chemical Informatics - Using Molecular Shape Descriptors in Structure-Based Drug Design                Andy Jennings 11. Accounting for Solvent in Structure-Based Drug Design                Leslie W. Tari 12. Structure-Based Drug Design on Membrane Protein Targets: Human Integral Membrane Protein 5-Lipoxygenase-Activating Protein                Andrew D. Ferguson 13. Application of SBDD to the Discovery of New Antibacterial Drugs                John Finn 14. Leveraging SBDD in Protein Therapeutic Development: Antibody Engineering                Gary L. Gilliland, Jinquan Luo, Omid Vafa, and Juan Carlos Almagro 15. A Medicinal Chemistry Perspective on Structure-Based Drug Design and Development                Shawn P. Maddaford