Structural Biology in Drug Discovery: Methods, Techniques, and Practices

ISBN-13: 9781118681015 / Angielski / Twarda / 2020 / 688 str.

Jean–Paul Renaud

Opis

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

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.

Spis treści

List of ContributorsPrefaceChapter 01: The Evolving Role of Structural Biology in Drug DiscoveryChapter 02: A Structural View on Druggability: Experimental and Computational ApproachesChapter 03: Structural Chemogenomics: Profiling Protein-Ligand Interactions in Polypharmacological SpaceChapter 04: Fragment-Based Ligand DiscoveryChapter 05: Combining Structural, Thermodynamic and Kinetic Information to Drive Hit-to-Lead ProgressionChapter 06: Allostery as Structure-Encoded Collective Dynamics: Significance in Drug DesignChapter 07: Biophysical Assessment of Target Protein Quality in Structure-Based Drug discoveryChapter 08: An Industrial Perspective on Protein-Ligand Complex CrystallizationChapter 09: Membrane Protein CrystallizationChapter 10: High-throughput Macromolecular Crystallography in Drug Discovery: Evolving in the Midst of RevolutionsChapter 11: Assessment of Crystallographic Structure Quality and Protein - Ligand Complex Structure ValidationChapter 12: Complementary Information from Neutron Crystallography StudiesChapter 13: Determination of Protein Structure and Dynamics by NMR: State of the Art and Application to the Characterization of BiotherapeuticsChapter 14: NMR Studies of Protein - Small Molecule Interactions for Drug DiscoveryChapter 15: Computational Structural Biology for Drug Discovery: Power and LimitationsChapter 16: The Role of Structural Biology in Kinase Inhibitors Drug Discovery SuccessChapter 17: Serine Proteinases from the Blood Coagulation CascadeChapter 18: Epigenetic Proteins as Emerging Drug TargetsChapter 19: Impact of Recently Determined Crystallographic Structures of GPCRs on Drug DiscoveryChapter 20: Targeting Protein-Protein Interactions PerspectiveChapter 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 HCVChapter 23: A Comprehensive Review on Mycobacterium Tuberculosis Targets and Drug Development from a Structural PerspectiveChapter 24: Using Crystal Structures of Drug-Metabolizing Enzymes in Mechanism-Based Modeling for Drug DesignChapter 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 BiologyChapter 27: Application of Hard-X-ray Free-electron Lasers for Static and Dynamic Processes in Structural Biology

O autorze

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.

Blurb

Structure–based drug discovery allows scientists to analyze the three–dimensional framework of biological molecules to enhance the process and outcome of drug design and development. With knowledge of structural biology scientists can utilize modern techniques to characterize target molecules and develop efficient therapeutic drugs. Over the last few years, there have been significant improvements and advances in the field, leading to faster and more effective drug development at preclinical and clinical stages. Today, pharmacologists and scientists derive several drugs from structure–based design programs and continue to discover breakthrough methods in this fast–growing field.

With the most comprehensive and up–to–date overview of structure–based drug discovery and using experimental and computational approaches, Structural Biology in Drug Discovery: Methods, Techniques, and Practices covers principles, methods, applications, and emerging paradigms of structural biology as a tool for more efficient drug development. Coverage includes successful examples, academic and industry insights, novel concepts, and advances in a fast–growing field.

The combined chapters, by authors writing from the frontlines of structural biology and drug research, give readers a valuable reference and resource that:

    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