Fragment Based Drug Discovery And X Ray Crystallography

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Fragment-Based Drug Discovery and X-Ray Crystallography

Thomas G. Davies,Marko Hyvönen
Fragment Based Drug Discovery and X Ray Crystallography Book PDF

Author : Thomas G. Davies,Marko Hyvönen
Publisher : Springer Science & Business Media
Page : 235 pages
File Size : 42,6 Mb
Release : 2012-01-23
Category : Science
ISBN : 9783642275395

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Fragment-Based Drug Discovery and X-Ray Crystallography by Thomas G. Davies,Marko Hyvönen Pdf

Introduction to Fragment-Based Drug Discovery, by Daniel A. Erlanson Fragment Screening Using X-Ray Crystallography, by Thomas G. Davies and Ian J. Tickle Hsp90 Inhibitors and Drugs from Fragment and Virtual Screening, by Stephen Roughley, Lisa Wright, Paul Brough, Andrew Massey and Roderick E. Hubbard Combining NMR and X-ray Crystallography in Fragment-Based Drug Discovery: Discovery of Highly Potent and Selective BACE-1 Inhibitors, by Daniel F. Wyss, Yu-Sen Wang, Hugh L. Eaton, Corey Strickland, Johannes H. Voigt, Zhaoning Zhu and Andrew W. Stamford Combining Biophysical Screening and X-Ray Crystallography for Fragment-Based Drug Discovery, by Michael Hennig, Armin Ruf and Walter Huber Targeting Protein–Protein Interactions and Fragment-Based Drug Discovery, by Eugene Valkov, Tim Sharpe, May Marsh, Sandra Greive and Marko Hyvönen Fragment Screening and HIV Therapeutics, by Joseph D. Bauman, Disha Patel and Eddy Arnold Fragment-Based Approaches and Computer-Aided Drug Discovery, by Didier Rognan

Fragment-Based Drug Discovery

Steven Howard,Chris Abell
Fragment Based Drug Discovery Book PDF

Author : Steven Howard,Chris Abell
Publisher : Royal Society of Chemistry
Page : 314 pages
File Size : 54,5 Mb
Release : 2015-07-03
Category : Medical
ISBN : 9781849739085

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Fragment-Based Drug Discovery by Steven Howard,Chris Abell Pdf

Fragment-based drug discovery is a rapidly evolving area of research, which has recently seen new applications in areas such as epigenetics, GPCRs and the identification of novel allosteric binding pockets. The first fragment-derived drug was recently approved for the treatment of melanoma. It is hoped that this approval is just the beginning of the many drugs yet to be discovered using this fascinating technique. This book is written from a Chemist's perspective and comprehensively assesses the impact of fragment-based drug discovery on a wide variety of areas of medicinal chemistry. It will prove to be an invaluable resource for medicinal chemists working in academia and industry, as well as anyone interested in novel drug discovery techniques.

Fragment-based Drug Discovery

Daniel A. Erlanson,Wolfgang Jahnke
Fragment based Drug Discovery Book PDF

Author : Daniel A. Erlanson,Wolfgang Jahnke
Publisher : John Wiley & Sons
Page : 524 pages
File Size : 52,5 Mb
Release : 2016-02-23
Category : Medical
ISBN : 9783527337750

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Fragment-based Drug Discovery by Daniel A. Erlanson,Wolfgang Jahnke Pdf

From its origins as a niche technique more than 15 years ago, fragment-based approaches have become a major tool for drug and ligand discovery, often yielding results where other methods have failed. Written by the pioneers in the field, this book provides a comprehensive overview of current methods and applications of fragment-based discovery, as well as an outlook on where the field is headed. The first part discusses basic considerations of when to use fragment-based methods, how to select targets, and how to build libraries in the chemical fragment space. The second part describes established, novel and emerging methods for fragment screening, including empirical as well as computational approaches. Special cases of fragment-based screening, e. g. for complex target systems and for covalent inhibitors are also discussed. The third part presents several case studies from recent and on-going drug discovery projects for a variety of target classes, from kinases and phosphatases to targeting protein-protein interaction and epigenetic targets.

Fragment-based Approaches in Drug Discovery

Wolfgang Jahnke,Daniel A. Erlanson
Fragment based Approaches in Drug Discovery Book PDF

Author : Wolfgang Jahnke,Daniel A. Erlanson
Publisher : John Wiley & Sons
Page : 391 pages
File Size : 43,7 Mb
Release : 2006-12-13
Category : Science
ISBN : 9783527608607

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Fragment-based Approaches in Drug Discovery by Wolfgang Jahnke,Daniel A. Erlanson Pdf

This first systematic summary of the impact of fragment-based approaches on the drug development process provides essential information that was previously unavailable. Adopting a practice-oriented approach, this represents a book by professionals for professionals, tailor-made for drug developers in the pharma and biotech sector who need to keep up-to-date on the latest technologies and strategies in pharmaceutical ligand design. The book is clearly divided into three sections on ligand design, spectroscopic techniques, and screening and drug discovery, backed by numerous case studies.

Fragment Based Drug Design

Lawrence C. Kuo
Fragment Based Drug Design Book PDF

Author : Lawrence C. Kuo
Publisher : Academic Press
Page : 662 pages
File Size : 54,9 Mb
Release : 2011-03-09
Category : Medical
ISBN : 9780123812742

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Fragment Based Drug Design by Lawrence C. Kuo Pdf

There are numerous excellent reviews on fragment-based drug discovery (FBDD), but there are to date no hand-holding guides or protocols with which one can embark on this orthogonal approach to complement traditional high throughput screening methodologies. This Methods in Enzymology volume offers the tools, practical approaches, and hit-to-lead examples on how to conduct FBDD screens. The chapters in this volume cover methods that have proven to be successful in generating leads from fragments, including chapters on how to apply computational techniques, nuclear magnetic resonance, surface plasma resonance, thermal shift and binding assays, protein crystallography, and medicinal chemistry in FBDD. Also elaborated by experienced researchers in FBDD are sample preparations of fragments, proteins, and GPCR as well as examples of how to generate leads from hits. Offers the tools, practical approaches, and hit-to-lead examples on how to conduct FBDD screens The chapters in this volume cover methods that have proven to be successful in generating leads from fragments, including chapters on how to apply computational techniques, nuclear magnetic resonance, surface plasma resonance, thermal shift and binding assays, protein crystallography, and medicinal chemistry in FBDD

Fragment-Based Drug Discovery

Edward R. Zartler,Michael Shapiro
Fragment Based Drug Discovery Book PDF

Author : Edward R. Zartler,Michael Shapiro
Publisher : John Wiley & Sons
Page : 296 pages
File Size : 49,9 Mb
Release : 2008-11-20
Category : Science
ISBN : 9780470721568

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Fragment-Based Drug Discovery by Edward R. Zartler,Michael Shapiro Pdf

Fragment-based drug discovery (FBDD) is a new paradigm in drug discovery that utilizes very small molecules - fragments of larger molecules. It is a faster, cheaper, smarter way to do drug discovery, as shown by the number of pharmaceutical companies that have embraced this approach and the biotechnology companies who use fragments as their sole source of drug discovery. Fragment-Based Drug Discovery: A Practical Approach is a guide to the techniques and practice of using fragments in drug screening. The emphasis is on practical guidance, with procedures, case studies, practical tips, and contributions from industry. Topics covered include: an introduction to fragment based drug discovery, why using fragments is a more efficient process than predominant models, and what it means to have a successful FBDD effort. setting up an FBDD project library building and production NMR in fragment screening and follow up application of protein-ligand NOE matching to the rapid evaluation of fragment binding poses target immobilized NMR screening: validation and extension to membrane proteins in situ fragment-based medicinal chemistry: screening by mass spectrometry computational approaches to fragment and substructure discovery and evaluation virtual fragment scanning: current trends, applications and web based tools fragment-based lead discovery using covalent capture methods case study from industry: the identification of high affinity beta-secretase inhibitors using fragment-based lead generation With contributions from industry experts who have successfully set up an industrial fragment-based research program, Fragment-Based Drug Discovery: A Practical Approach offers essential advice to anyone embarking on drug discovery using fragments and those looking for a new approach to screening for drugs.

Structural Biology in Drug Discovery

Jean-Paul Renaud
Structural Biology in Drug Discovery Book PDF

Author : Jean-Paul Renaud
Publisher : John Wiley & Sons
Page : 1367 pages
File Size : 40,5 Mb
Release : 2020-01-09
Category : Medical
ISBN : 9781118900505

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Structural Biology in Drug Discovery by Jean-Paul Renaud Pdf

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

Biophysical Techniques in Drug Discovery

Angeles Canales
Biophysical Techniques in Drug Discovery Book PDF

Author : Angeles Canales
Publisher : Royal Society of Chemistry
Page : 336 pages
File Size : 51,6 Mb
Release : 2017-11-20
Category : Science
ISBN : 9781782627333

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Biophysical Techniques in Drug Discovery by Angeles Canales Pdf

With perspectives from academia and industry across a spectrum of techniques, this is a go-to volume for biophysicists, analytical chemists and medicinal chemists looking for a broad overview of techniques of contemporary interest in drug discovery.

Multifaceted Roles of Crystallography in Modern Drug Discovery

Giovanna Scapin,Disha Patel,Eddy Arnold
Multifaceted Roles of Crystallography in Modern Drug Discovery Book PDF

Author : Giovanna Scapin,Disha Patel,Eddy Arnold
Publisher : Springer
Page : 240 pages
File Size : 50,6 Mb
Release : 2015-02-27
Category : Science
ISBN : 9789401797191

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Multifaceted Roles of Crystallography in Modern Drug Discovery by Giovanna Scapin,Disha Patel,Eddy Arnold Pdf

The present work offers a snapshot of the state-of-the-art of crystallographic, analytical, and computational methods used in modern drug design and development. Topics discussed include: drug design against complex systems (membrane proteins, cell surface receptors, epigenetic targets, and ribosomes); modulation of protein-protein interactions; the impact of small molecule structures in drug discovery and the application of concepts such as molecular geometry, conformation, and flexibility to drug design; methodologies for understanding and characterizing protein states and protein-ligand interactions during the drug design process; and monoclonal antibody therapies. These methods are illustrated through their application to problems of medical and biological significance, such as viral and bacterial infections, diabetes, autoimmune disease, and CNS diseases. As approaches to drug discovery have changed over time, so have the methodologies used to solve the varied, new, and difficult problems encountered in drug discovery. In recent years we have seen great progress in the fields of genetics, biology, chemistry, and medicine, but there are still many unmet medical needs, from bacterial infections to cancer to chronic maladies, that require novel, different, or better therapies. This work will be of interest to researchers and policy makers interested in the latest developments in drug design.

Structure-based Drug Discovery

Harren Jhoti,Andrew R. Leach
Structure based Drug Discovery Book PDF

Author : Harren Jhoti,Andrew R. Leach
Publisher : Springer Science & Business Media
Page : 255 pages
File Size : 42,9 Mb
Release : 2007-05-24
Category : Science
ISBN : 9781402044076

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Structure-based Drug Discovery by Harren Jhoti,Andrew R. Leach Pdf

This book describes some of the most exciting developments for the discovery of new drugs, such as Fragment-based methods. It contains the latest developments in technologies that can be used to obtain the 3-D structures. This book includes experimental approaches using X-ray crystallography and NMR for Fragment-based screening as well as other biophysical methods for studying protein/ligand interactions.

Protein Crystallography in Drug Discovery, Volume 20

Robert E. Babine,Sherin S. Abdel-Meguid
Protein Crystallography in Drug Discovery Volume 20 Book PDF

Author : Robert E. Babine,Sherin S. Abdel-Meguid
Publisher : John Wiley & Sons
Page : 284 pages
File Size : 40,6 Mb
Release : 2004-02-13
Category : Medical
ISBN : 3527306781

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Protein Crystallography in Drug Discovery, Volume 20 by Robert E. Babine,Sherin S. Abdel-Meguid Pdf

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.

Fragment-Based Drug Discovery and X-Ray Crystallography

Thomas G. Davies,Marko Hyvönen
Fragment Based Drug Discovery and X Ray Crystallography Book PDF

Author : Thomas G. Davies,Marko Hyvönen
Publisher : Springer Science & Business Media
Page : 228 pages
File Size : 54,8 Mb
Release : 2012-01-24
Category : Science
ISBN : 9783642275401

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Fragment-Based Drug Discovery and X-Ray Crystallography by Thomas G. Davies,Marko Hyvönen Pdf

Introduction to Fragment-Based Drug Discovery, by Daniel A. Erlanson Fragment Screening Using X-Ray Crystallography, by Thomas G. Davies and Ian J. Tickle Hsp90 Inhibitors and Drugs from Fragment and Virtual Screening, by Stephen Roughley, Lisa Wright, Paul Brough, Andrew Massey and Roderick E. Hubbard Combining NMR and X-ray Crystallography in Fragment-Based Drug Discovery: Discovery of Highly Potent and Selective BACE-1 Inhibitors, by Daniel F. Wyss, Yu-Sen Wang, Hugh L. Eaton, Corey Strickland, Johannes H. Voigt, Zhaoning Zhu and Andrew W. Stamford Combining Biophysical Screening and X-Ray Crystallography for Fragment-Based Drug Discovery, by Michael Hennig, Armin Ruf and Walter Huber Targeting Protein–Protein Interactions and Fragment-Based Drug Discovery, by Eugene Valkov, Tim Sharpe, May Marsh, Sandra Greive and Marko Hyvönen Fragment Screening and HIV Therapeutics, by Joseph D. Bauman, Disha Patel and Eddy Arnold Fragment-Based Approaches and Computer-Aided Drug Discovery, by Didier Rognan

Structure-Based Drug Discovery

Roderick E Hubbard
Structure Based Drug Discovery Book PDF

Author : Roderick E Hubbard
Publisher : Royal Society of Chemistry
Page : 278 pages
File Size : 52,9 Mb
Release : 2007-10-31
Category : Medical
ISBN : 9781847552549

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Structure-Based Drug Discovery by Roderick E Hubbard Pdf

Structure-based drug discovery is a collection of methods that exploits the ability to determine and analyse the three dimensional structure of biological molecules. These methods have been adopted and enhanced to improve the speed and quality of discovery of new drug candidates. After an introductory overview of the principles and application of structure-based methods in drug discovery, this book then describes the essential features of the various methods. Chapters on X-ray crystallography, NMR spectroscopy, and computational chemistry and molecular modelling describe how these particular techniques have been enhanced to support rational drug discovery, with discussions on developments such as high throughput structure determination, probing protein-ligand interactions by NMR spectroscopy, virtual screening and fragment-based drug discovery. The concluding chapters complement the overview of methods by presenting case histories to demonstrate the major impact that structure-based methods have had on discovering drug molecules. Written by international experts from industry and academia, this comprehensive introduction to the methods and practice of structure-based drug discovery not only illustrates leading-edge science but also provides the scientific background for the non-expert reader. The book provides a balanced appraisal of what structure-based methods can and cannot contribute to drug discovery. It will appeal to industrial and academic researchers in pharmaceutical sciences, medicinal chemistry and chemical biology, as well as providing an insight into the field for recent graduates in the biomolecular sciences.

Protein Crystallography in Drug Discovery

Robert E. Babine,Sherin S. Abdel-Meguid
Protein Crystallography in Drug Discovery Book PDF

Author : Robert E. Babine,Sherin S. Abdel-Meguid
Publisher : John Wiley & Sons
Page : 278 pages
File Size : 40,9 Mb
Release : 2008-07-15
Category : Science
ISBN : 9783527606351

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Protein Crystallography in Drug Discovery by Robert E. Babine,Sherin S. Abdel-Meguid Pdf

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.

Drug Design

Kenneth M. Merz,Dagmar Ringe,Charles H. Reynolds
Drug Design Book PDF

Author : Kenneth M. Merz,Dagmar Ringe,Charles H. Reynolds
Publisher : Cambridge University Press
Page : 289 pages
File Size : 55,7 Mb
Release : 2010-05-31
Category : Medical
ISBN : 9780521887236

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Drug Design by Kenneth M. Merz,Dagmar Ringe,Charles H. Reynolds Pdf

This book provides a complete snapshot of various experimental approaches to structure-based and ligand-based drug design and is illustrated with more than 200 images.