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Structure-Based Drug Discovery

Series: Methods in Molecular Biology

by Leslie W. Tari

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Main description:

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 Biology (TM) 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.

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 E. 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

PRODUCT DETAILS

ISBN-13: 9781617795190
Publisher: Springer (Humana Press Inc.)
Publication date: January, 2012
Pages: 394
Weight: 939g
Availability: Available
Subcategories: Biochemistry, Pharmacology

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