Multifaceted Roles Of Crystallography In Modern Drug Discovery

Author : Giovanna Scapin,Disha Patel,Eddy Arnold
Publisher : Springer
Page : 240 pages
File Size : 40,9 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.

Author : Jean-Paul Renaud
Publisher : John Wiley & Sons
Page : 1367 pages
File Size : 40,7 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 : Dimitrios Lamprou
Publisher : CRC Press
Page : 535 pages
File Size : 53,7 Mb
Release : 2023-04-05
Category : Medical
ISBN : 9781000857337

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Emerging Drug Delivery and Biomedical Engineering Technologies by Dimitrios Lamprou Pdf

This book details the advances in drug discovery and delivery and the present need for emerging technologies. Throughout the text new micro and nanofabrication techniques are described, including methods such as electrohydrodynamic processes, additive manufacturing, and microfluidics, which have the potential to produce drug delivery systems that were not possible a few years ago. This book is of great use to both entry-level and experienced researchers in the field of emerging technologies for the manufacturing of drug delivery devices. Features: Describes technologies that are significantly enhancing the delivery of drugs and biologics Presents new data on mobile and wearable point-of-care testing systems Features hot topics such as electrospinning, 3D printing and micro-needles Focuses on additive manufacturing (AM) which can be used to provide customized treatment for patients Will appeal to experienced researchers and those considering entering the field of emerging technologies for the manufacturing of drug delivery devises

Author : Guillaume Lebon
Publisher : Springer
Page : 289 pages
File Size : 54,7 Mb
Release : 2019-08-01
Category : Science
ISBN : 9783030245917

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Structure and Function of GPCRs by Guillaume Lebon Pdf

This book introduces readers to the latest advances in G protein-coupled receptor (GPCR) biology. It reviews our current understanding of the structural basis of ligand binding and allosteric mechanisms, following a decade of technological breakthroughs. Several examples of structure-based drug discovery are presented, together with the future challenges involved in designing better drugs that target GPCRs. In turn, the book illustrates the important concept of GPCR biased signaling in physiological contexts, and presents fluorescent- and light-based methodologies frequently used to measure GPCR signaling or to trace their dynamics in cells upon ligand activation. Taken together, the chapters provide an essential overview and toolkit for new scientific investigators who plan to develop GPCR projects. All chapters were written by experts in their respective fields, and share valuable insights and powerful methodologies for the GPCR field.

Author : Vijai Singh
Publisher : Springer Nature
Page : 365 pages
File Size : 43,9 Mb
Release : 2024-05-30
Category : Electronic
ISBN : 9789819984015

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Advances in Bioinformatics by Vijai Singh Pdf

Author : Kouhei Tsumoto,Daisuke Kuroda
Publisher : Springer Nature
Page : 481 pages
File Size : 49,7 Mb
Release : 2022-11-08
Category : Medical
ISBN : 9781071626092

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Computer-Aided Antibody Design by Kouhei Tsumoto,Daisuke Kuroda Pdf

This volume details state-of-the- art methods on computer-aided antibody design. Chapters guide readers through information on antibody sequences and structures, modeling antibody structures and dynamics, prediction and optimization of biological and biophysical properties of antibodies, prediction of antibody-antigen interactions, and computer-aided antibody affinity maturation and beyond. Written in the format of the highly successful Methods in Molecular Biology series, each chapter includes an introduction to the topic, lists necessary materials and reagents, includes tips on troubleshooting and known pitfalls, and step-by-step, readily reproducible protocols. Authoritative and cutting-edge, Computer-Aided Antibody Design aims to be a useful and practical guide to new researchers and experts looking to expand their knowledge. Chapter 2 is available open access under a Creative Commons Attribution 4.0 International License via link.springer.com.

Author : Robert E. Babine,Sherin S. Abdel-Meguid
Publisher : John Wiley & Sons
Page : 284 pages
File Size : 42,5 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.

Author : Alexander Hillisch,Rolf Hilgenfeld
Publisher : Birkhäuser
Page : 294 pages
File Size : 51,6 Mb
Release : 2012-11-28
Category : Medical
ISBN : 9783034879972

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Modern Methods of Drug Discovery by Alexander Hillisch,Rolf Hilgenfeld Pdf

Research in the pharmaceutical industry today is in many respects quite different from what it used to be only fifteen years ago. There have been dramatic changes in approaches for identifying new chemical entities with a desired biological activity. While chemical modification of existing leads was the most important approach in the 1970s and 1980s, high-throughput screening and structure-based design are now major players among a multitude of methods used in drug discov ery. Quite often, companies favor one of these relatively new approaches over the other, e.g., screening over rational design, or vice versa, but we believe that an intelligent and concerted use of several or all methods currently available to drug discovery will be more successful in the medium term. What has changed most significantly in the past few years is the time available for identifying new chemical entities. Because of the high costs of drug discovery projects, pressure for maximum success in the shortest possible time is higher than ever. In addition, the multidisciplinary character of the field is much more pronounced today than it used to be. As a consequence, researchers and project managers in the pharmaceutical industry should have a solid knowledge of the more important methods available to drug discovery, because it is the rapidly and intelligently combined use of these which will determine the success or failure of preclinical projects.

Author : Mrs. Mitali Yogesh Patil,Mr. Biprojit Paul,Mr. Mohit Chadha,Dr. Saroj Kumar Raul
Publisher : JEC PUBLICATION
Page : 229 pages
File Size : 44,8 Mb
Release : 2024-05-30
Category : Medical
ISBN : 9789358504958

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MODERN PHARMACEUTICAL ANALYTICAL TECHNIQUES by Mrs. Mitali Yogesh Patil,Mr. Biprojit Paul,Mr. Mohit Chadha,Dr. Saroj Kumar Raul Pdf

In the dynamic realm of pharmaceutical sciences, this project explores "Modern Pharmaceutical Analytical Techniques," delving into cutting-edge methodologies crucial for ensuring the quality and efficacy of drugs. From spectroscopy to advanced technologies like metabolomics, each chapter demystifies the application and significance of these techniques. Bridging academia and industry, this work aims to be a practical guide, underlining the realworld implications of these tools. Gratitude is extended to mentors, colleagues, and institutions, as this concise exploration seeks to serve students, researchers, and professionals navigating the ever-evolving landscape of pharmaceutical analysis.

Author : Leslie W. Tari
Publisher : Humana Press
Page : 0 pages
File Size : 54,9 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 : Mohammad Ashrafuzzaman
Publisher : CRC Press
Page : 603 pages
File Size : 50,8 Mb
Release : 2023-12-15
Category : Science
ISBN : 9781003821649

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Introduction to Modern Biophysics by Mohammad Ashrafuzzaman Pdf

This textbook provides an introduction to the fundamental and applied aspects of biophysics for advanced undergraduate and graduate students of physics, chemistry, and biology. The application of physics principles and techniques in exploring biological systems has long been a tradition in scientific research. Biological systems hold naturally inbuilt physical principles and processes which are popularly explored. Systematic discoveries help us understand the structures and functions of individual biomolecules, biomolecular systems, cells, organelles, tissues, and even the physiological systems of animals and plants. Utilizing a physics- based scientific understanding of biological systems to explore disease is at the forefront of applied scientific research. This textbook covers key breakthroughs in biophysics whilst looking ahead to future horizons and directions of research. It contains models based on both classical and quantum mechanical treatments of biological systems. It explores diseases related to physical alterations in biomolecular structures and organizations alongside drug discovery strategies. It also discusses the cutting- edge applications of nanotechnologies in manipulating nanoprocesses in biological systems. Key Features: • Presents an accessible introduction to how physics principles and techniques can be used to understand biological and biochemical systems. • Addresses natural processes, mutations, and their purposeful manipulation. • Lays the groundwork for vitally important natural scientific, technological, and medical advances. Mohammad Ashrafuzzaman, a biophysicist and condensed matter scientist, is passionate about investigating biological and biochemical processes utilizing physics principles and techniques. He is a professor of biophysics at King Saud University’s Biochemistry Department in the College of Science, Riyadh, Saudi Arabia; the co- founder of MDT Canada Inc., and the founder of Child Life Development Institute, Edmonton, Canada. He has authored Biophysics and Nanotechnology of Ion Channels, Nanoscale Biophysics of the Cell, and Membrane Biophysics. He has also published about 50 peer- reviewed articles and several patents, edited two books, and has been serving on the editorial boards of Elsevier and Bentham Science journals. Dr. Ashrafuzzaman has held research and academic ranks at Bangladesh University of Engineering & Technology, University of Neuchatel (Switzerland), Helsinki University of Technology (Finland), Weill Medical College of Cornell University (USA), and University of Alberta (Canada). During 2013– 2018 he also served as a Visiting Professor at the Departments of Oncology, and Medical Microbiology and Immunology, of the University of Alberta. Dr. Ashrafuzzaman earned his highest academic degree, Doctor of Science (D.Sc.) in condensed matter physics from the University of Neuchatel, Switzerland in 2004.

Author : Sanjeev Kumar Singh
Publisher : Springer Nature
Page : 334 pages
File Size : 46,5 Mb
Release : 2021-02-02
Category : Science
ISBN : 9789811589362

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Innovations and Implementations of Computer Aided Drug Discovery Strategies in Rational Drug Design by Sanjeev Kumar Singh Pdf

This book presents various computer-aided drug discovery methods for the design and development of ligand and structure-based drug molecules. A wide variety of computational approaches are now being used in various stages of drug discovery and development, as well as in clinical studies. Yet, despite the rapid advances in computer software and hardware, combined with the exponential growth in the available biological information, there are many challenges that still need to be addressed, as this book shows. In turn, it shares valuable insights into receptor-ligand interactions in connection with various biological functions and human diseases. The book discusses a wide range of phylogenetic methods and highlights the applications of Molecular Dynamics Simulation in the drug discovery process. It also explores the application of quantum mechanics in order to provide better accuracy when calculating protein-ligand binding interactions and predicting binding affinities. In closing, the book provides illustrative descriptions of major challenges associated with computer-aided drug discovery for the development of therapeutic drugs. Given its scope, it offers a valuable asset for life sciences researchers, medicinal chemists and bioinformaticians looking for the latest information on computer-aided methodologies for drug development, together with their applications in drug discovery.

Author : Steven Howard,Chris Abell
Publisher : Royal Society of Chemistry
Page : 314 pages
File Size : 48,5 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.

Author : Graham A. Webb
Publisher : Springer Science & Business Media
Page : 1889 pages
File Size : 49,7 Mb
Release : 2007-05-26
Category : Technology & Engineering
ISBN : 9781402039102

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Modern Magnetic Resonance by Graham A. Webb Pdf

A comprehensive collection of the applications of Nuclear Magnetic Resonance (NMR), Magnetic Resonance Imaging (MRI) and Electron-Spin Resonance (ESR). Covers the wide ranging disciplines in which these techniques are used: * Chemistry; * Biological Sciences; * Pharmaceutical Sciences; * Medical uses; * Marine Science; * Materials Science; * Food Science. Illustrates many techniques through the applications described, e.g.: * High resolution solid and liquid state NMR; * Low resolution NMR, especially important in food science; * Solution State NMR, especially important in pharmaceutical sciences; * Magnetic Resonance Imaging, especially important for medical uses; * Electron Spin Resonance, especially important for spin-labelling in food, marine and medical studies.

Author : Vishwanath Gaitonde,Partha Karmakar,Ashit Trivedi
Publisher : BoD – Books on Demand
Page : 166 pages
File Size : 46,6 Mb
Release : 2020-03-11
Category : Medical
ISBN : 9781789239751

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Drug Discovery and Development by Vishwanath Gaitonde,Partha Karmakar,Ashit Trivedi Pdf

The process of drug discovery and development is a complex multistage logistics project spanned over 10-15 years with an average budget exceeding 1 billion USD. Starting with target identification and synthesizing anywhere between 10k to 15k synthetic compounds to potentially obtain the final drug that reaches the market involves a complicated maze with multiple inter- and intra-operative fields. Topics described in this book emphasize the progresses in computational applications, pharmacokinetics advances, and molecular modeling developments. In addition the book also contains special topics describing target deorphaning in Mycobacterium tuberculosis, therapy treatment of some rare diseases, and developments in the pediatric drug discovery process.