Structural Biology in Drug Discovery

With the most comprehensive and up-to-date overview of structure-based drug discovery covering both experimental and computational approaches, Structural Biology in Drug Discovery: Methods, Techniques, and Practices describes 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 rapidly evolving field.

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

• Presents the benefits, limitations, and potentiality of major techniques in the field such as X-ray crystallography, NMR, neutron crystallography, cryo-EM, mass spectrometry and other biophysical techniques, and computational structural biology
• Includes detailed chapters on druggability, allostery, complementary use of thermodynamic and kinetic information, and powerful approaches such as structural chemogenomics and fragment-based drug design
• Emphasizes the need for the in-depth biophysical characterization of protein targets as well as of therapeutic proteins, and for a thorough quality assessment of experimental structures
• Illustrates advances in the field of established therapeutic targets like kinases, serine proteinases, GPCRs, and epigenetic proteins, and of more challenging ones like protein-protein interactions and intrinsically disordered proteins

“"The book ... is a surprisingly comprehensive, monumental collection of chapters by a number of researchers in the field of drug discovery. ... [Editor Jean-Paul] Renaud was able to see the broad crucial aspects of the field and therefore able to invite excellent scientists to coauthor this book and cover so many aspects and in so much depth." -- Crystallography Reviews, March 2022”

JEAN-PAUL RENAUD, PhD, is cofounder and President & Chief Scientific Officer at Urania Therapeutics (formerly RiboStruct), which focuses on rational drug design targeting the human ribosome. Previously, he was cofounder and Chief Scientific Officer at NovAliX and CNRS Research Director in the Structural Biology and Genomics Department at the Institute of Genetics and Molecular and Cellular Biology. Dr Renaud has over 30 years of research experience, along with 48 articles, 4 book chapters and 3 patents to his credit. He also initiated and is the Chairman and Scientific Organizer of the NovAliX Conferences "Biophysics in Drug Discovery".

Structure-based drug discovery exploits the knowledge of the three-dimensional framework of biological molecules to enhance the process and outcome of drug design and development. Scientists can utilize modern structural biology techniques to characterize new therapeutic targets and develop efficient new 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 the preclinical stage. Today, a number of drugs have been derived from structure-based design programs and scientists continue to discover breakthrough methods in this fast-growing field. With the most comprehensive and up-to-date overview of structure-based drug discovery covering mostly experimental but also computational approaches, Structural Biology in Drug Discovery: Methods, Techniques, and Practices describes 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 rapidly evolving field. The combined chapters, by authors writing from the frontlines of structural biology and drug discovery, give readers a valuable reference and resource that: Presents the benefits, limitations, and potentiality of major techniques in the field such as X-ray crystallography, NMR, neutron crystallography, cryo-EM, mass spectrometry and other biophysical techniques, and computational structural biology Includes detailed chapters on druggability, allostery, complementary use of thermodynamic and kinetic information, and powerful approaches such as structural chemogenomics and fragment-based drug design Emphasizes the need for the in-depth biophysical characterization of protein targets as well as of therapeutic proteins, and for a thorough quality assessment of experimental structures Illustrates advances in the field of established therapeutic targets like kinases, serine proteinases, GPCRs, and epigenetic proteins, and of more challenging ones like protein-protein interactions and intrinsically disordered proteins

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

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