Structural Bioinformatics Applications In Preclinical Drug Discovery Process

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Structural Bioinformatics: Applications in Preclinical Drug Discovery Process

Author : C. Gopi Mohan
Publisher : Springer
ISBN 13 : 3030052826
Total Pages : 406 pages
Book Rating : 4.0/5 (3 download)

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Book Synopsis Structural Bioinformatics: Applications in Preclinical Drug Discovery Process by : C. Gopi Mohan

Download or read book Structural Bioinformatics: Applications in Preclinical Drug Discovery Process written by C. Gopi Mohan and published by Springer. This book was released on 2019-01-10 with total page 406 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book reviews the advances and challenges of structure-based drug design in the preclinical drug discovery process, addressing various diseases, including malaria, tuberculosis and cancer. Written by internationally recognized researchers, this edited book discusses how the application of the various in-silico techniques, such as molecular docking, virtual screening, pharmacophore modeling, molecular dynamics simulations, and residue interaction networks offers insights into pharmacologically active novel molecular entities. It presents a clear concept of the molecular mechanism of different drug targets and explores methods to help understand drug resistance. In addition, it includes chapters dedicated to natural-product- derived medicines, combinatorial drug discovery, the CryoEM technique for structure-based drug design and big data in drug discovery. The book offers an invaluable resource for graduate and postgraduate students, as well as for researchers in academic and industrial laboratories working in the areas of chemoinformatics, medicinal and pharmaceutical chemistry and pharmacoinformatics.

Structural Bioinformatics

Author : Jenny Gu
Publisher : John Wiley & Sons
ISBN 13 : 1118210565
Total Pages : 1105 pages
Book Rating : 4.1/5 (182 download)

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Book Synopsis Structural Bioinformatics by : Jenny Gu

Download or read book Structural Bioinformatics written by Jenny Gu and published by John Wiley & Sons. This book was released on 2011-09-20 with total page 1105 pages. Available in PDF, EPUB and Kindle. Book excerpt: Structural Bioinformatics was the first major effort to show the application of the principles and basic knowledge of the larger field of bioinformatics to questions focusing on macromolecular structure, such as the prediction of protein structure and how proteins carry out cellular functions, and how the application of bioinformatics to these life science issues can improve healthcare by accelerating drug discovery and development. Designed primarily as a reference, the first edition nevertheless saw widespread use as a textbook in graduate and undergraduate university courses dealing with the theories and associated algorithms, resources, and tools used in the analysis, prediction, and theoretical underpinnings of DNA, RNA, and proteins. This new edition contains not only thorough updates of the advances in structural bioinformatics since publication of the first edition, but also features eleven new chapters dealing with frontier areas of high scientific impact, including: sampling and search techniques; use of mass spectrometry; genome functional annotation; and much more. Offering detailed coverage for practitioners while remaining accessible to the novice, Structural Bioinformatics, Second Edition is a valuable resource and an excellent textbook for a range of readers in the bioinformatics and advanced biology fields. Praise for the previous edition: "This book is a gold mine of fundamental and practical information in an area not previously well represented in book form." —Biochemistry and Molecular Education "... destined to become a classic reference work for workers at all levels in structural bioinformatics...recommended with great enthusiasm for educators, researchers, and graduate students." —BAMBED "...a useful and timely summary of a rapidly expanding field." —Nature Structural Biology "...a terrific job in this timely creation of a compilation of articles that appropriately addresses this issue." —Briefings in Bioinformatics

Structural Biology in Drug Discovery

Author : Jean-Paul Renaud
Publisher : John Wiley & Sons
ISBN 13 : 1118681010
Total Pages : 706 pages
Book Rating : 4.1/5 (186 download)

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Book Synopsis Structural Biology in Drug Discovery by : Jean-Paul Renaud

Download or read book Structural Biology in Drug Discovery written by Jean-Paul Renaud and published by John Wiley & Sons. This book was released on 2020-02-05 with total page 706 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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

Drug Design

Author : Arli Aditya Parikesit
Publisher : BoD – Books on Demand
ISBN 13 : 1789847524
Total Pages : 159 pages
Book Rating : 4.7/5 (898 download)

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Book Synopsis Drug Design by : Arli Aditya Parikesit

Download or read book Drug Design written by Arli Aditya Parikesit and published by BoD – Books on Demand. This book was released on 2021-06-16 with total page 159 pages. Available in PDF, EPUB and Kindle. Book excerpt: Right before the COVID-19 pandemic declared by the World Health Organization (WHO), life sciences have incited novel areas of studies that revolutionize the health sector. They are the studies of structural bioinformatics, pharmacogenomics, and metabolomics. The structural bioinformatics field is the very foundation of drug design research, as it provides insight into the molecular simulations and interactions between the biomolecules and the drug candidates. Secondly, pharmacogenomics is the starting point of any efforts in developing personalized medicine. Lastly, metabolomics provides instrumentation to elicit biomarkers for various diseases and health conditions. These studies have enabled current accelerated effort in COVID-19 research, as well as other communicable and non-communicable diseases.

Structural Bioinformatics Tools for Drug Design

Author : Jaroslav Koča
Publisher : Springer
ISBN 13 : 3319473883
Total Pages : 146 pages
Book Rating : 4.3/5 (194 download)

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Book Synopsis Structural Bioinformatics Tools for Drug Design by : Jaroslav Koča

Download or read book Structural Bioinformatics Tools for Drug Design written by Jaroslav Koča and published by Springer. This book was released on 2017-01-24 with total page 146 pages. Available in PDF, EPUB and Kindle. Book excerpt: The book describes the individual steps necessary for biomacromolecular fragments analysis, as well as a list of essential software tools. For each step, it also shows corresponding web-based tools in detail and provides practical examples of their use. All tools and databases mentioned in the examples are available free of charge, platform-independent, web-based, user-friendly and do not require a prior IT background to be fully used.

Computational Structural Biology

Author : Manuel Claude Peitsch
Publisher : World Scientific
ISBN 13 : 9812778772
Total Pages : 790 pages
Book Rating : 4.8/5 (127 download)

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Book Synopsis Computational Structural Biology by : Manuel Claude Peitsch

Download or read book Computational Structural Biology written by Manuel Claude Peitsch and published by World Scientific. This book was released on 2008 with total page 790 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Bioinformatics Techniques for Drug Discovery

Author : Aman Chandra Kaushik
Publisher : Springer
ISBN 13 : 3319757326
Total Pages : 66 pages
Book Rating : 4.3/5 (197 download)

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Book Synopsis Bioinformatics Techniques for Drug Discovery by : Aman Chandra Kaushik

Download or read book Bioinformatics Techniques for Drug Discovery written by Aman Chandra Kaushik and published by Springer. This book was released on 2018-04-25 with total page 66 pages. Available in PDF, EPUB and Kindle. Book excerpt: The application of bioinformatics approaches in drug design involves an interdisciplinary array of sophisticated techniques and software tools to elucidate hidden or complex biological data. This work reviews the latest bioinformatics approaches used for drug discovery. The text covers ligand-based and structure-based approaches for computer-aided drug design, 3D pharmacophore modeling, molecular dynamics simulation, the thermodynamics of ligand−receptor and ligand−enzyme association, thermodynamic characterization and optimization, and techniques for computational genomics and proteomics.

Multifaceted Roles of Crystallography in Modern Drug Discovery

Author : Giovanna Scapin
Publisher : Springer
ISBN 13 : 9401797196
Total Pages : 245 pages
Book Rating : 4.4/5 (17 download)

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Book Synopsis Multifaceted Roles of Crystallography in Modern Drug Discovery by : Giovanna Scapin

Download or read book Multifaceted Roles of Crystallography in Modern Drug Discovery written by Giovanna Scapin and published by Springer. This book was released on 2015-02-27 with total page 245 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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

Author : R. E. Hubbard
Publisher : Royal Society of Chemistry
ISBN 13 : 0854043519
Total Pages : 279 pages
Book Rating : 4.8/5 (54 download)

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Book Synopsis Structure-based Drug Discovery by : R. E. Hubbard

Download or read book Structure-based Drug Discovery written by R. E. Hubbard and published by Royal Society of Chemistry. This book was released on 2006 with total page 279 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Bioinformatics Tools for Pharmaceutical Drug Product Development

Author : Vivek Chavda
Publisher : John Wiley & Sons
ISBN 13 : 1119865115
Total Pages : 452 pages
Book Rating : 4.1/5 (198 download)

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Book Synopsis Bioinformatics Tools for Pharmaceutical Drug Product Development by : Vivek Chavda

Download or read book Bioinformatics Tools for Pharmaceutical Drug Product Development written by Vivek Chavda and published by John Wiley & Sons. This book was released on 2023-03-14 with total page 452 pages. Available in PDF, EPUB and Kindle. Book excerpt: BIOINFORMATICS TOOLS FOR Pharmaceutical DRUG PRODUCT DLEVELOPMENT A timely book that details bioinformatics tools, artificial intelligence, machine learning, computational methods, protein interactions, peptide-based drug design, and omics technologies, for drug development in the pharmaceutical and medical sciences industries. The book contains 17 chapters categorized into 3 sections. The first section presents the latest information on bioinformatics tools, artificial intelligence, machine learning, computational methods, protein interactions, peptide-based drug design, and omics technologies. The following 2 sections include bioinformatics tools for the pharmaceutical sector and the healthcare sector. Bioinformatics brings a new era in research to accelerate drug target and vaccine design development, improving validation approaches as well as facilitating and identifying side effects and predicting drug resistance. As such, this will aid in more successful drug candidates from discovery to clinical trials to the market, and most importantly make it a more cost-effective process overall. Readers will find in this book: Applications of bioinformatics tools for pharmaceutical drug product development like process development, pre-clinical development, clinical development, commercialization of the product, etc.; The ever-expanding application of this novel technology and discusses some of the unique challenges associated with such an approach; The broad and deep background, as well as updates, on recent advances in both medicine and AI/ML that enable the application of these cutting-edge bioinformatics tools. Audience The book will be used by researchers and scientists in academia and industry including drug developers, computational biochemists, bioinformaticians, immunologists, pharmaceutical and medical sciences, as well as those in artificial intelligence and machine learning.

Bioinformatics and Computational Biology in Drug Discovery and Development

Author : William T. Loging
Publisher : Cambridge University Press
ISBN 13 : 1316538818
Total Pages : 255 pages
Book Rating : 4.3/5 (165 download)

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Book Synopsis Bioinformatics and Computational Biology in Drug Discovery and Development by : William T. Loging

Download or read book Bioinformatics and Computational Biology in Drug Discovery and Development written by William T. Loging and published by Cambridge University Press. This book was released on 2016-03-17 with total page 255 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational biology drives discovery through its use of high-throughput informatics approaches. This book provides a road map of the current drug development process and how computational biology approaches play a critical role across the entire drug discovery pipeline. Through the use of previously unpublished, real-life case studies the impact of a range of computational approaches are discussed at various phases of the pipeline. Additionally, a focus section provides innovative visualisation approaches, from both the drug discovery process as well as from other fields that utilise large datasets, recognising the increasing use of such technology. Serving the needs of early career and more experienced scientists, this up-to-date reference provides an essential introduction to the process and background of drug discovery, highlighting how computational researchers can contribute to that pipeline.

Bioinformatics and Drug Discovery

Author : Richard S. Larson
Publisher :
ISBN 13 : 9781617799655
Total Pages : 374 pages
Book Rating : 4.7/5 (996 download)

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Book Synopsis Bioinformatics and Drug Discovery by : Richard S. Larson

Download or read book Bioinformatics and Drug Discovery written by Richard S. Larson and published by . This book was released on 2012 with total page 374 pages. Available in PDF, EPUB and Kindle. Book excerpt: Recent advances in drug discovery have been rapid. The second edition of Bioinformatics and Drug Discovery has been completely updated to include topics that range from new technologies in target identification, genomic analysis, cheminformatics, protein analysis, and network or pathway analysis. Each chapter provides an extended introduction that describes the theory and application of the technology. In the second part of each chapter, detailed procedures related to the use of these technologies and software have been incorporated. Written in the highly successful Methods in Molecular Biology series format, the chapters include the kind of detailed description and implementation advice that is crucial for getting optimal results in the laboratory. Thorough and intuitive, Bioinformatics and Drug Discovery, Second Edition seeks to aid scientists in the further study of the rapidly expanding field of drug discovery.

Innovations and Implementations of Computer Aided Drug Discovery Strategies in Rational Drug Design

Author : Sanjeev Kumar Singh
Publisher : Springer Nature
ISBN 13 : 9811589364
Total Pages : 334 pages
Book Rating : 4.8/5 (115 download)

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

Download or read book Innovations and Implementations of Computer Aided Drug Discovery Strategies in Rational Drug Design written by Sanjeev Kumar Singh and published by Springer Nature. This book was released on 2021-02-02 with total page 334 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Modern Methods of Drug Discovery

Author : Alexander Hillisch
Publisher : Birkhäuser
ISBN 13 : 3034879970
Total Pages : 294 pages
Book Rating : 4.0/5 (348 download)

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Book Synopsis Modern Methods of Drug Discovery by : Alexander Hillisch

Download or read book Modern Methods of Drug Discovery written by Alexander Hillisch and published by Birkhäuser. This book was released on 2012-11-28 with total page 294 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

From Drug Design to Structural Bioinformatics

Author : Arthur Gerald Cox
Publisher :
ISBN 13 :
Total Pages : 244 pages
Book Rating : 4.:/5 (434 download)

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Book Synopsis From Drug Design to Structural Bioinformatics by : Arthur Gerald Cox

Download or read book From Drug Design to Structural Bioinformatics written by Arthur Gerald Cox and published by . This book was released on 1999 with total page 244 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Drug Discovery and Development

Author : Ramarao Poduri
Publisher : Springer Nature
ISBN 13 : 9811555346
Total Pages : 522 pages
Book Rating : 4.8/5 (115 download)

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Book Synopsis Drug Discovery and Development by : Ramarao Poduri

Download or read book Drug Discovery and Development written by Ramarao Poduri and published by Springer Nature. This book was released on 2021-02-15 with total page 522 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book describes the processes that are involved in the development of new drugs. The authors discuss the history, role of natural products and concept of receptor interactions with regard to the initial stages of drug discovery. In a single, highly readable volume, it outlines the basics of pharmacological screening, drug target identification, and genetics involved in early drug discovery. The final chapters introduce readers to stem therapeutics, pharmacokinetics, pharmacovigilance, and toxicological testing. Given its scope, the book will enable research scholars, professionals and young scientists to understand the key fundamentals of drug discovery, including stereochemistry, pharmacokinetics, clinical trials, statistics and toxicology.

Applied Computer-Aided Drug Design: Models and Methods

Author : Igor José dos Santos Nascimento
Publisher : Bentham Science Publishers
ISBN 13 : 9815179942
Total Pages : 366 pages
Book Rating : 4.8/5 (151 download)

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Book Synopsis Applied Computer-Aided Drug Design: Models and Methods by : Igor José dos Santos Nascimento

Download or read book Applied Computer-Aided Drug Design: Models and Methods written by Igor José dos Santos Nascimento and published by Bentham Science Publishers. This book was released on 2023-12-08 with total page 366 pages. Available in PDF, EPUB and Kindle. Book excerpt: Designing and developing new drugs is an expensive and time-consuming process, and there is a need to discover new tools or approaches that can optimize this process. Applied Computer-Aided Drug Design: Models and Methods compiles information about the main advances in computational tools for discovering new drugs in a simple and accessible language for academic students to early career researchers. The book aims to help readers understand how to discover molecules with therapeutic potential by bringing essential information about the subject into one volume. Key Features · Presents the concepts and evolution of classical techniques, up to the use of modern methods based on computational chemistry in accessible format. · Gives a primer on structure- and ligand-based drug design and their predictive capacity to discover new drugs. · Explains theoretical fundamentals and applications of computer-aided drug design. · Focuses on a range of applications of the computations tools, such as molecular docking; molecular dynamics simulations; homology modeling, pharmacophore modeling, quantitative structure-activity relationships (QSAR), density functional theory (DFT), fragment-based drug design (FBDD), and free energy perturbation (FEP). · Includes scientific reference for advanced readers Readership Students, teachers and early career researchers.