Fragment Based Drug Design

Fragment Based Drug Design Book in PDF, ePub and Kindle version is available to download in english. Read online anytime anywhere directly from your device. Click on the download button below to get a free pdf file of Fragment Based Drug Design book. This book definitely worth reading, it is an incredibly well-written.

Fragment-Based Drug Discovery

Author : Edward R. Zartler,Michael Shapiro
Publisher : John Wiley & Sons
Page : 296 pages
File Size : 52,7 Mb
Release : 2008-11-20
Category : Science
ISBN : 9780470721568

Get Book

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.

Fragment-based Drug Discovery

Author : Daniel A. Erlanson,Wolfgang Jahnke
Publisher : John Wiley & Sons
Page : 524 pages
File Size : 50,5 Mb
Release : 2016-02-23
Category : Medical
ISBN : 9783527337750

Get Book

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 Drug Discovery

Author : Steven Howard,Chris Abell
Publisher : Royal Society of Chemistry
Page : 314 pages
File Size : 50,6 Mb
Release : 2015-07-03
Category : Medical
ISBN : 9781849739085

Get Book

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 Approaches in Drug Discovery

Author : Wolfgang Jahnke,Daniel A. Erlanson
Publisher : John Wiley & Sons
Page : 391 pages
File Size : 54,6 Mb
Release : 2006-12-13
Category : Science
ISBN : 9783527608607

Get Book

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 Discovery and X-Ray Crystallography

Author : Thomas G. Davies,Marko Hyvönen
Publisher : Springer Science & Business Media
Page : 235 pages
File Size : 46,8 Mb
Release : 2012-01-23
Category : Science
ISBN : 9783642275395

Get Book

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 Design

Author : Lawrence C. Kuo
Publisher : Academic Press
Page : 662 pages
File Size : 54,5 Mb
Release : 2011-03-09
Category : Medical
ISBN : 9780123812742

Get Book

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

Structure-based Drug Discovery

Author : Harren Jhoti,Andrew R. Leach
Publisher : Springer Science & Business Media
Page : 250 pages
File Size : 53,6 Mb
Release : 2007-05-24
Category : Science
ISBN : 9781402044076

Get Book

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.

Applied Biophysics for Drug Discovery

Author : Donald Huddler,Edward R. Zartler
Publisher : John Wiley & Sons
Page : 148 pages
File Size : 54,7 Mb
Release : 2017-10-02
Category : Science
ISBN : 9781119099482

Get Book

Applied Biophysics for Drug Discovery by Donald Huddler,Edward R. Zartler Pdf

Applied Biophysics for Drug Discovery is a guide to new techniques and approaches to identifying and characterizing small molecules in early drug discovery. Biophysical methods are reasserting their utility in drug discovery and through a combination of the rise of fragment-based drug discovery and an increased focus on more nuanced characterisation of small molecule binding, these methods are playing an increasing role in discovery campaigns. This text emphasizes practical considerations for selecting and deploying core biophysical method, including but not limited to ITC, SPR, and both ligand-detected and protein-detected NMR. Topics covered include: • Design considerations in biophysical-based lead screening • Thermodynamic characterization of protein-compound interactions • Characterizing targets and screening reagents with HDX-MS • Microscale thermophoresis methods (MST) • Screening with Weak Affinity Chromatography • Methods to assess compound residence time • 1D-NMR methods for hit identification • Protein-based NMR methods for SAR development • Industry case studies integrating multiple biophysical methods This text is ideal for academic investigators and industry scientists planning hit characterization campaigns or designing and optimizing screening strategies.

Fragment-Based Methods in Drug Discovery

Author : Anthony E. Klon
Publisher : Unknown
Page : 230 pages
File Size : 41,6 Mb
Release : 2015
Category : Biomedicine
ISBN : 1493924869

Get Book

Fragment-Based Methods in Drug Discovery by Anthony E. Klon Pdf

Annotation This volume covers the techniques necessary for a successful fragment-based drug design project, beginning from defining the problem in terms of preparing the protein model, identifying potential binding sites, and the consideration of various candidate fragments for simulation. The second part discusses the technical aspects that various methods have used to simulate fragment binding to a target protein by using Monte Carlo, molecular dynamics, and docking algorithms. After simulations, fragments are assembled into molecules using a variety of approaches, which are explored next. A discussion of design strategies and consideration of drug-like properties is included as part of the design process at this stage. Finally, several examples of successful fragment-based drug design projects are presented. Written for the "Methods in Molecular Biology" series, this work contains the kind of detailed description and implementation advice to encourage success in the lab.Practical and cutting-edge, "Fragment-Based Methodsin Drug Discovery" takes into account the great accomplishments in the field to provide an ideal guide for researchers continuing to investigate this exciting area of pharmacological study."

Computational Drug Discovery and Design

Author : Mohini Gore,Umesh B. Jagtap
Publisher : Springer Nature
Page : 357 pages
File Size : 54,8 Mb
Release : 2023-10-09
Category : Medical
ISBN : 9781071634417

Get Book

Computational Drug Discovery and Design by Mohini Gore,Umesh B. Jagtap Pdf

This second edition provides new and updated methods and techniques for identification of drug target, binding sites prediction, high- throughput virtual screening, lead discovery and optimization, conformational sampling, prediction of pharmacokinetic properties using computer-based methodologies. Chapters also focus on the application of the latest artificial intelligence technologies for computer aided drug discovery. Written in the format of the highly successful Methods in Molecular Biology series, each chapter includes an introduction to the topic, lists necessary methods, includes tips on troubleshooting and known pitfalls, and step-by-step, readily reproducible protocols. Authoritative and cutting-edge, Computational Drug Discovery and Design, Second Edition aims to effectively utilize computational methodologies in discovery and design of novel drugs.

Drug Design

Author : Kenneth M. Merz,Dagmar Ringe,Charles H. Reynolds
Publisher : Cambridge University Press
Page : 289 pages
File Size : 51,7 Mb
Release : 2010-05-31
Category : Medical
ISBN : 9780521887236

Get Book

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.

NMR of Biomolecules

Author : Ivano Bertini,Kathleen S. McGreevy,Giacomo Parigi
Publisher : John Wiley & Sons
Page : 15 pages
File Size : 45,6 Mb
Release : 2012-04-16
Category : Science
ISBN : 9783527328505

Get Book

NMR of Biomolecules by Ivano Bertini,Kathleen S. McGreevy,Giacomo Parigi Pdf

NMR is one of the most powerful methods for imaging of biomolecules. This book is the ultimate NMR guide for researchers in the biomedical community and gives not only background and practical tips but also a forward looking view on the future of NMR in systems biology.

Structural Biology in Drug Discovery

Author : Jean-Paul Renaud
Publisher : John Wiley & Sons
Page : 1367 pages
File Size : 54,8 Mb
Release : 2020-01-09
Category : Medical
ISBN : 9781118900505

Get Book

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

The Organic Chemistry of Drug Design and Drug Action

Author : Richard B. Silverman
Publisher : Elsevier
Page : 617 pages
File Size : 47,9 Mb
Release : 2012-12-02
Category : Science
ISBN : 9780080513379

Get Book

The Organic Chemistry of Drug Design and Drug Action by Richard B. Silverman Pdf

Standard medicinal chemistry courses and texts are organized by classes of drugs with an emphasis on descriptions of their biological and pharmacological effects. This book represents a new approach based on physical organic chemical principles and reaction mechanisms that allow the reader to extrapolate to many related classes of drug molecules. The Second Edition reflects the significant changes in the drug industry over the past decade, and includes chapter problems and other elements that make the book more useful for course instruction. New edition includes new chapter problems and exercises to help students learn, plus extensive references and illustrations Clearly presents an organic chemist's perspective of how drugs are designed and function, incorporating the extensive changes in the drug industry over the past ten years Well-respected author has published over 200 articles, earned 21 patents, and invented a drug that is under consideration for commercialization

Special Topics in Drug Discovery

Author : Taosheng Chen,Sergio Chai
Publisher : BoD – Books on Demand
Page : 192 pages
File Size : 45,9 Mb
Release : 2016-11-30
Category : Medical
ISBN : 9789535127994

Get Book

Special Topics in Drug Discovery by Taosheng Chen,Sergio Chai Pdf

Drug discovery involves multiple disciplines, technologies, and approaches. This book selects important topics related to drug discovery, including emerging tool (Chapter 1), cutting-edge approaches (Chapters 2, 3, and 4), examples of specific therapeutic area (Chapter 5), quality control in drug development (Chapter 6), and job and career opportunities in the pharmaceutical sector, a topic rarely covered by other books (Chapter 7). This book draws knowledge from experts actively involved in different areas of drug discovery from both industrial and academic settings. We hope that this book will facilitate your efforts in drug discovery.