Description
With the most comprehensive and up-to-date overview of structure-based drug discovery and using experimental and computational approaches, this book covers principles, methods, applications, and emerging paradigms of structural biology as a tool for more efficient drug development. * Presents the benefits, limitations, and potentiality of novel techniques in the field, like complex crystallization, X-ray diffraction, NMR, mass spectrometry, and computational chemistry * Assesses macromolecular structures with experimental, analytical, and therapeutic approaches to reveal a successful, multidisciplinary perspective to drug development * Includes detailed chapters on concepts, like protein dynamics, structure-based chemogenomics and polypharmacology, and fragment-based drug design * Illustrates advances in biomolecular targeting using case studies and emerging examples: epigenetic proteins, HCV inhibitors, HIV-1 inhibitors, ribosomes, and antibodies Jean-Paul Renaud, PhD, is the founder and directs RiboStruct, which focuses on rational drug design based on the eukaryotic ribosome. Previously, he was Chief Scientific Officer at NovAliX and the CNRS Research Director in the Structural Biology and Genomics Department at the Institute of Genetics and Molecular and Cellular Biology. Dr. Renaud has over 20 years of research experience, along with several book chapters and articles and 3 patents to his credit. List of Contributors Preface Chapter 01: The Evolving Role of Structural Biology in Drug Discovery Chapter 02: A Structural View on Druggability: Experimental and Computational Approaches Chapter 03: Structural Chemogenomics: Profiling Protein-Ligand Interactions in Polypharmacological Space Chapter 04: Fragment-Based Ligand Discovery Chapter 05: Combining Structural, Thermodynamic and Kinetic Information to Drive Hit-to-Lead Progression Chapter 06: Allostery as Structure-Encoded Collective Dynamics: Significance in Drug Design Chapter 07: Biophysical Assessment of Target Protein Quality in Structure-Based Drug discovery Chapter 08: An Industrial Perspective on Protein-Ligand Complex Crystallization Chapter 09: Membrane Protein Crystallization Chapter 10: High-throughput Macromolecular Crystallography in Drug Discovery: Evolving in the Midst of Revolutions Chapter 11: Assessment of Crystallographic Structure Quality and Protein – Ligand Complex Structure Validation Chapter 12: Complementary Information from Neutron Crystallography Studies Chapter 13: Determination of Protein Structure and Dynamics by NMR: State of the Art and Application to the Characterization of Biotherapeutics Chapter 14: NMR Studies of Protein – Small Molecule Interactions for Drug Discovery Chapter 15: Computational Structural Biology for Drug Discovery: Power and Limitations Chapter 16: The Role of Structural Biology in Kinase Inhibitors Drug Discovery Success Chapter 17: Serine Proteinases from the Blood Coagulation Cascade Chapter 18: Epigenetic Proteins as Emerging Drug Targets Chapter 19: Impact of Recently Determined Crystallographic Structures of GPCRs on Drug Discovery Chapter 20: Targeting Protein-Protein Interactions Perspective Chapter 21: Mass Spectrometry-Based Strategies for Therapeutic Antibodies Extensive Characterization and Optimization (OptimAbs) Chapter 22: Integrating Evolution of Drug Resistance into Drug Discovery: Lessons from the Viral Proteases of HIV-1 and HCV Chapter 23: A Comprehensive Review on Mycobacterium Tuberculosis Targets and Drug Development from a Structural Perspective Chapter 24: Using Crystal Structures of Drug-Metabolizing Enzymes in Mechanism-Based Modeling for Drug Design Chapter 25: Intrinsically Disordered Proteins (IDPs): Targets for the Future? Chapter 26: Cryo-electron Microscopy as a Tool for Drug Discovery in the Context of Integrative Structural Biology Chapter 27: Application of Hard-X-ray Free-electron Lasers for Static and Dynamic Processes in Structural Biology
