Structural Biology In Drug Discovery

Author : Jean-Paul Renaud
Publisher : John Wiley & Sons
Page : 1367 pages
File Size : 47,9 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

Author : Leslie W. Tari
Publisher : Humana Press
Page : 0 pages
File Size : 44,9 Mb
Release : 2012-01-06
Category : Medical
ISBN : 1617795194

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Structure-Based Drug Discovery by Leslie W. Tari Pdf

The last decade has seen the confluence of several enabling technologies that have allowed protein crystallographic methods to live up to their true potential. Taken together, the numerous recent advances have made it possible to tackle difficult biological targets with a high probability of success: intact bacterial ribosomes have been structurally elucidated, as well as eukaryotic trans-membrane proteins like the potassium channel and GPCRs. It is now possible for medicinal chemists to have access to structural information on their latest small molecule candidates bound to the therapeutic target within days of compound synthesis, allowing structure guided ligand optimization to occur in "real time". Structure-Based Drug Discovery presents an array of methods used to generate crystal structures of biological macromolecules, how to leverage the structural information to design novel ligands anew, and how to iteratively optimize hits and convert them to leads. Written in the successful Methods in Molecular BiologyTM series format, chapters include introductions to their respective topics, lists of the necessary materials and reagents, step-by-step, readily reproducible protocols, and notes on troubleshooting and avoiding known pitfalls. Authoritative and easily accessible, Structure-Based Drug Discovery aims to provide scientists interested in adding SBDD to their arsenal of drug discovery methods with well-honed, up-to-date methodologies.

Author : Harren Jhoti,Andrew R. Leach
Publisher : Springer Science & Business Media
Page : 250 pages
File Size : 45,5 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.

Author : Wayne F. Anderson
Publisher : Springer Nature
Page : 344 pages
File Size : 55,7 Mb
Release : 2014-07-08
Category : Medical
ISBN : 9781493903542

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Structural Genomics and Drug Discovery by Wayne F. Anderson Pdf

Structural Genomics and Drug Discovery: Methods and Protocols focuses on high throughput structure determination methods and how they can be applied to lay the groundwork for structure aided drug discovery. The methods and protocols that are described can be applied in any laboratory interested in using detailed structural information to advance the initial stages of drug discovery. Written in the highly successful Methods in Molecular Biology series format, chapters include introductions to their respective topics, lists of the necessary materials and reagents, step-by-step, readily reproducible laboratory protocols, and key tips on troubleshooting and avoiding known pitfalls. Authoritative and practical, Structural Genomics and Drug Discovery: Methods and Protocols seeks to aid scientists in the further study into structural genomics approach as an efficient initial step toward drug discovery and the methods described will be useful to anyone interested in moving in this direction.

Author : Marco Nardini,Pietro Roversi,Gianluca Molla
Publisher : Frontiers Media SA
Page : 159 pages
File Size : 44,9 Mb
Release : 2023-03-03
Category : Science
ISBN : 9782832516829

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Integration of structural biology data in lead drug discovery and optimization by Marco Nardini,Pietro Roversi,Gianluca Molla Pdf

Author : Subrata Pal
Publisher : Academic Press
Page : 518 pages
File Size : 49,6 Mb
Release : 2019-08-13
Category : Science
ISBN : 9780128148563

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Fundamentals of Molecular Structural Biology by Subrata Pal Pdf

Fundamentals of Molecular Structural Biology reviews the mathematical and physical foundations of molecular structural biology. Based on these fundamental concepts, it then describes molecular structure and explains basic genetic mechanisms. Given the increasingly interdisciplinary nature of research, early career researchers and those shifting into an adjacent field often require a "fundamentals" book to get them up-to-speed on the foundations of a particular field. This book fills that niche. Provides a current and easily digestible resource on molecular structural biology, discussing both foundations and the latest advances Addresses critical issues surrounding macromolecular structures, such as structure-based drug discovery, single-particle analysis, computational molecular biology/molecular dynamic simulation, cell signaling and immune response, macromolecular assemblies, and systems biology Presents discussions that ultimately lead the reader toward a more detailed understanding of the basis and origin of disease

Author : Manuel Claude Peitsch
Publisher : World Scientific
Page : 790 pages
File Size : 54,6 Mb
Release : 2008
Category : Science
ISBN : 9789812778772

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Computational Structural Biology by Manuel Claude Peitsch Pdf

This work covers the impact of computational structural biology on protein structure prediction methods, macromolecular function and protein design, and key methods in drug discovery. It also addresses the computational challenges of experimental approaches in structural biology.

Author : Chaim Putterman,David Cowburn,Steven Almo
Publisher : Academic Press
Page : 192 pages
File Size : 51,8 Mb
Release : 2018-05-14
Category : Medical
ISBN : 9780128033708

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Structural Biology in Immunology by Chaim Putterman,David Cowburn,Steven Almo Pdf

Structural Biology in Immunology, Structure/Function of Novel Molecules of Immunologic Importance delivers important information on the structure and functional relationships in novel molecules of immunologic interest. Due to an increasingly sophisticated understanding of the immune system, the approach to the treatment of many immune-mediated diseases, including multiple sclerosis, systemic lupus erythematosus, rheumatoid arthritis, and inflammatory bowel disease has been dramatically altered. Furthermore, there is an increasing awareness of the critical role of the immune system in cancer biology. The improved central structure function relationships presented in this book will further enhance our ability to understand what defects in normal individuals can lead to disease. Describes novel/recently discovered immunomodulatory proteins, including antibodies and co-stimulatory or co-inhibitory molecules Emphasizes new biologic and small molecule drug design through the exploration of structure-function relationship Features a collaborative editorial effort, involving clinical immunologists and structural biologists Provides useful and practical insights on developing the necessary links between basic science and clinical therapy in immunology Gives interested parties a bridge to learn about computer modeling and structure based design principles

Author : Anonim
Publisher : Unknown
Page : 128 pages
File Size : 41,9 Mb
Release : 2024-05-23
Category : Electronic
ISBN : 9789814472418

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Computational Structural Biology by Anonim Pdf

Author : Daniel Chasman
Publisher : CRC Press
Page : 534 pages
File Size : 42,6 Mb
Release : 2003-03-18
Category : Medical
ISBN : 9780824748166

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Protein Structure by Daniel Chasman Pdf

This text offers in-depth perspectives on every aspect of protein structure identification, assessment, characterization, and utilization, for a clear understanding of the diversity of protein shapes, variations in protein function, and structure-based drug design. The authors cover numerous high-throughput technologies as well as computational methods to study protein structures and residues. A valuable reference, this book reflects current trends in the effort to solve new structures arising from genome initiatives, details methods to detect and identify errors in the prediction of protein structural models, and outlines challenges in the conversion of routine processes into high-throughput platforms.

Author : Joel L. Sussman,Paola Spadon
Publisher : Springer Science & Business Media
Page : 258 pages
File Size : 51,7 Mb
Release : 2009-04-21
Category : Science
ISBN : 9789048123391

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From Molecules to Medicines by Joel L. Sussman,Paola Spadon Pdf

Proceedings of the NATO Advanced Study Institute on Integrating Crystallography in the Fight Against Terrorism Erice, Italy 29 May-8 June 2008

Author : I. Schlichting,U. Egner
Publisher : Springer Science & Business Media
Page : 209 pages
File Size : 40,5 Mb
Release : 2013-04-17
Category : Science
ISBN : 9783662046456

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Data Mining in Structural Biology by I. Schlichting,U. Egner Pdf

Structural biology is becoming a routine technique for structure de termination in pharmaceutical industries. The advances in molecular biology, crystal handling and data collection techniques, tunable syn chrotron radiation sources, and high-performance computing have all contributed to developments such as the production and expression of tailored protein domains, the use of the MAD (Multiple Anomalous Dispersion) method, and the collection of X-ray data from tiny crystals at cryogenic temperature. The number of protein structures deposited in the Protein Databank has increased tremendously over the last 3-4 years. Since 1997, more than 1,500 structures have been deposited each year, and during the first 7 months of this year, 1,500 protein structures were already deposited. The numerous initiatives in the field of "structural genomics" distributed all over the world have led to the development of techniques for high-throughput structure determina tion, thereby contributing to the increase in the determination of three dimensional protein structures. This structural information is being ex plored in various ways in the drug discovery process. It is not only used in structure-based drug design of new low-molecular-weight li gands, but also in the early stages of target validation and assessment. With the number of protein sequences without significant homology to well-known proteins increasing, the technique of structure-sequence compatibility (threading) is increasingly used to assign a function to a given protein fold.

Author : Rossen Donev
Publisher : Academic Press
Page : 316 pages
File Size : 48,5 Mb
Release : 2020-05-01
Category : Science
ISBN : 9780128168462

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Protein Interactions as Targets in Drug Discovery by Rossen Donev Pdf

Protein Interactions as Targets in Drug Discovery, Volume 121, is dedicated to the design of therapeutics, both experimental and computational, that target protein interactions. Chapters in this new release include Trends in structure based drug design with protein targets, From fragment- to peptide-protein interaction: addressing the structural basis of binding using Supervised Molecular Dynamics (SuMD), Protein-protein and protein-ligand interactions: identification of potential inhibitors through computational analysis, Aromatic-aromatic interactions in protein-drug and protein-protein interactions, Role of protein-protein interaction in allosteric drug design within the human methyltransferome, and much more. Integrates experimental and computational methods for studying protein interactions and their modulation by potential therapeutics Contains timely chapters written by well-renown authorities in their field Covers information that is well supported by a number of high quality illustrations, figures and tables Targets a very wide audience of specialists, researchers and students

Author : Anil Kumar Saxena
Publisher : Springer Nature
Page : 405 pages
File Size : 46,8 Mb
Release : 2021-10-18
Category : Science
ISBN : 9783030852818

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Biophysical and Computational Tools in Drug Discovery by Anil Kumar Saxena Pdf

This book reviews recent physicochemical and biophysical techniques applied in drug discovery research, and it outlines the latest advances in computational drug design. Divided into 10 chapters, the book discusses about the role of structural biology in drug discovery, and offers useful application cases of several biophysical and computational methods, including time-resolved fluorometry (TRF) with Förster resonance energy transfer (FRET), X-Ray crystallography, nuclear magnetic resonance spectroscopy, mass spectroscopy, generative machine learning for inverse molecular design, quantum mechanics/molecular mechanics (QM/MM,ONIOM) and quantum molecular dynamics (QMT) methods. Particular attention is given to computational search techniques applied to peptide vaccines using novel mathematical descriptors and structure and ligand-based virtual screening techniques in drug discovery research. Given its scope, the book is a valuable resource for students, researchers and professionals from pharmaceutical industry interested in drug design and discovery.

Author : Timir Tripathi,Vikash Kumar Dubey
Publisher : Academic Press
Page : 716 pages
File Size : 42,5 Mb
Release : 2022-01-14
Category : Science
ISBN : 9780323902656

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Advances in Protein Molecular and Structural Biology Methods by Timir Tripathi,Vikash Kumar Dubey Pdf

Advances in Protein Molecular and Structural Biology Methods offers a complete overview of the latest tools and methods applicable to the study of proteins at the molecular and structural level. The book begins with sections exploring tools to optimize recombinant protein expression and biophysical techniques such as fluorescence spectroscopy, NMR, mass spectrometry, cryo-electron microscopy, and X-ray crystallography. It then moves towards computational approaches, considering structural bioinformatics, molecular dynamics simulations, and deep machine learning technologies. The book also covers methods applied to intrinsically disordered proteins (IDPs)followed by chapters on protein interaction networks, protein function, and protein design and engineering. It provides researchers with an extensive toolkit of methods and techniques to draw from when conducting their own experimental work, taking them from foundational concepts to practical application. Presents a thorough overview of the latest and emerging methods and technologies for protein study Explores biophysical techniques, including nuclear magnetic resonance, X-ray crystallography, and cryo-electron microscopy Includes computational and machine learning methods Features a section dedicated to tools and techniques specific to studying intrinsically disordered proteins