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Protein Crystallography in Drug Discovery Methods and Principles in Medicinal Chemistry 1st Edition by Robert E Babine ISBN 3527306781 9783527306787

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Protein Crystallography in Drug Discovery Methods and Principles in Medicinal Chemistry 1st Edition Robert E. Babine Digital Instant Download

Author(s): Robert E. Babine
ISBN(s): 9783527306787, 3527306781
Edition: 1
File Details: PDF, 5.25 MB
Year: 2004
Language: english
SKU: EB-1789588 Category: Tag:

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ISBN 10: 3527306781 
ISBN 13: 9783527306787
Author: Robert E Babine

The rational, structure-based approach has become standard in present-day drug design. As a consequence, the availability of high-resolution structures of target proteins is more often than not the basis for an entire drug development program. Protein structures suited for rational drug design are almost exclusively derived from crystallographic studies, and drug developers are relying heavily on the power of this method.
Here, researchers from leading pharmaceutical companies present valuable first-hand information, much of it published for the first time. They discuss strategies to derive high-resolution structures for such important target protein classes as kinases or proteases, as well as selected examples of successful protein crystallographic studies. A special section on recent methodological developments, such as for high-throughput crystallography and microcrystallization, is also included.
A valuable companion for crystallographers involved in protein structure determination as well as drug developers pursuing the structure-based approach for use in their daily work.

Protein Crystallography in Drug Discovery Methods and Principles in Medicinal Chemistry 1st Table of contents:

1. Introduction to Protein Crystallography and Drug Discovery

  • Overview of Protein Crystallography

  • Role of Structural Biology in Drug Design

  • Integrating Crystallography with Other Techniques in Drug Discovery

2. Fundamentals of Protein Crystallography

  • The Theory Behind X-ray Crystallography

  • Crystallization of Proteins: Challenges and Techniques

  • Data Collection: Diffraction Patterns and Their Interpretation

  • Determining Protein Structures from Crystallography Data

3. Protein Structures and Their Relevance to Drug Discovery

  • The Relationship Between Protein Structure and Function

  • Understanding Active Sites and Binding Pockets

  • Conformational Flexibility and Its Role in Drug Binding

  • Mapping Drug Binding Sites with Crystallography

4. Techniques in Protein Crystallography

  • X-ray Crystallography: Methods and Instruments

  • Cryo-Electron Microscopy (Cryo-EM) in Structural Biology

  • Nuclear Magnetic Resonance (NMR) Spectroscopy: A Complementary Approach

  • Hybrid Methods: Crystallography and NMR Integration

5. Structure-Based Drug Design (SBDD)

  • Overview of Structure-Based Drug Discovery

  • Using Protein Structures to Design Small Molecule Inhibitors

  • High-Throughput Screening and Virtual Screening

  • Computational Docking and Molecular Dynamics Simulations

6. Case Studies in Drug Discovery Using Protein Crystallography

  • Successful Drug Design Examples Using Crystallography

  • Structure-Based Inhibitors in Cancer, Infectious Diseases, and Metabolic Disorders

  • Overcoming Challenges in Drug Development

7. Challenges in Protein Crystallography for Drug Discovery

  • Difficulties in Protein Crystallization

  • Dealing with Structural Heterogeneity and Flexibility

  • Resolving Low-Resolution Structures

  • Overcoming Limitations in Membrane Protein Crystallography

8. Advances in Protein Crystallography and Future Directions

  • Emerging Techniques and Technologies in Structural Biology

  • Integration of Artificial Intelligence in Structural Prediction

  • The Role of Structural Genomics in Drug Discovery

  • Towards Personalized Medicine: Crystallography and Target Identification

9. The Role of Medicinal Chemistry in Drug Discovery

  • Medicinal Chemistry and Its Integration with Structural Biology

  • Lead Optimization in Drug Development

  • ADMET Properties and Drug-Like Characteristics

  • Bridging Chemistry with Structure to Improve Drug Efficacy

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Tags: Robert E Babine, Protein Crystallography, Drug Discovery