Chemogenomics Knowledge Based Approaches To Drug Discovery

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Chemogenomics: Knowledge-based Approaches To Drug Discovery

Author : Edgar Jacoby
Publisher : World Scientific
ISBN 13 : 1783260092
Total Pages : 220 pages
Book Rating : 4.7/5 (832 download)

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Book Synopsis Chemogenomics: Knowledge-based Approaches To Drug Discovery by : Edgar Jacoby

Download or read book Chemogenomics: Knowledge-based Approaches To Drug Discovery written by Edgar Jacoby and published by World Scientific. This book was released on 2006-05-11 with total page 220 pages. Available in PDF, EPUB and Kindle. Book excerpt: In the post-genomic era, one of the key challenges for drug discovery is making optimal use of the comprehensive genomic data available after the elucidation of the human genome and others in order to identify effective new medicines. Addressing this challenge, chemogenomics aims to identify systematically all ligands and modulators for all the gene products expressed and allows the accelerated exploration of their biological function. The subject brings together diverse disciplines including chemistry, genetics, chemo- and bioinformatics, structural biology, and biological screening in phenotypic and target-based assays.This book uniquely integrates reviews of the latest cutting-edge research by leaders in the various disciplines, providing a general, knowledge-centric overview of the different chemical, biological and informatics components. Unlike existing publications, the book focuses on how these disciplines interact efficiently for the rapid discovery of new targets and their effector molecules simultaneously. Examples of chemogenomics approaches pursued in academia as well as in biotech and pharmaceutical companies are also provided.

Structural Biology in Drug Discovery

Author : Jean-Paul Renaud
Publisher : John Wiley & Sons
ISBN 13 : 1118900502
Total Pages : 1437 pages
Book Rating : 4.1/5 (189 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 2020-01-09 with total page 1437 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

Chemogenomics in Drug Discovery

Author : Hugo Kubinyi
Publisher : John Wiley & Sons
ISBN 13 : 3527604022
Total Pages : 487 pages
Book Rating : 4.5/5 (276 download)

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Book Synopsis Chemogenomics in Drug Discovery by : Hugo Kubinyi

Download or read book Chemogenomics in Drug Discovery written by Hugo Kubinyi and published by John Wiley & Sons. This book was released on 2006-03-06 with total page 487 pages. Available in PDF, EPUB and Kindle. Book excerpt: Chemogenomics brings together the most powerful concepts in modern chemistry and biology, linking combinatorial chemistry with genomics and proteomics. This first reference devoted to the topic covers all stages of the early drug discovery process, from target selection to compound library and lead design. With the combined expertise of 20 research groups from academia and leading pharmaceutical companies, this is a must-have for every drug developer and medicinal chemist applying the powerful methods of chemogenomics to speed up the drug discovery process.

Chemoinformatics for Drug Discovery

Author : Jürgen Bajorath
Publisher : John Wiley & Sons
ISBN 13 : 1118743091
Total Pages : 483 pages
Book Rating : 4.1/5 (187 download)

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Book Synopsis Chemoinformatics for Drug Discovery by : Jürgen Bajorath

Download or read book Chemoinformatics for Drug Discovery written by Jürgen Bajorath and published by John Wiley & Sons. This book was released on 2013-09-25 with total page 483 pages. Available in PDF, EPUB and Kindle. Book excerpt: Chemoinformatics strategies to improve drug discovery results With contributions from leading researchers in academia and the pharmaceutical industry as well as experts from the software industry, this book explains how chemoinformatics enhances drug discovery and pharmaceutical research efforts, describing what works and what doesn't. Strong emphasis is put on tested and proven practical applications, with plenty of case studies detailing the development and implementation of chemoinformatics methods to support successful drug discovery efforts. Many of these case studies depict groundbreaking collaborations between academia and the pharmaceutical industry. Chemoinformatics for Drug Discovery is logically organized, offering readers a solid base in methods and models and advancing to drug discovery applications and the design of chemoinformatics infrastructures. The book features 15 chapters, including: What are our models really telling us? A practical tutorial on avoiding common mistakes when building predictive models Exploration of structure-activity relationships and transfer of key elements in lead optimization Collaborations between academia and pharma Applications of chemoinformatics in pharmaceutical research experiences at large international pharmaceutical companies Lessons learned from 30 years of developing successful integrated chemoinformatic systems Throughout the book, the authors present chemoinformatics strategies and methods that have been proven to work in pharmaceutical research, offering insights culled from their own investigations. Each chapter is extensively referenced with citations to original research reports and reviews. Integrating chemistry, computer science, and drug discovery, Chemoinformatics for Drug Discovery encapsulates the field as it stands today and opens the door to further advances.

Computational Drug Design

Author : D. C. Young
Publisher : John Wiley & Sons
ISBN 13 : 9780470451847
Total Pages : 344 pages
Book Rating : 4.4/5 (518 download)

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Book Synopsis Computational Drug Design by : D. C. Young

Download or read book Computational Drug Design written by D. C. Young and published by John Wiley & Sons. This book was released on 2009-01-28 with total page 344 pages. Available in PDF, EPUB and Kindle. Book excerpt: Helps you choose the right computational tools and techniques to meet your drug design goals Computational Drug Design covers all of the major computational drug design techniques in use today, focusing on the process that pharmaceutical chemists employ to design a new drug molecule. The discussions of which computational tools to use and when and how to use them are all based on typical pharmaceutical industry drug design processes. Following an introduction, the book is divided into three parts: Part One, The Drug Design Process, sets forth a variety of design processes suitable for a number of different drug development scenarios and drug targets. The author demonstrates how computational techniques are typically used during the design process, helping readers choose the best computational tools to meet their goals. Part Two, Computational Tools and Techniques, offers a series of chapters, each one dedicated to a single computational technique. Readers discover the strengths and weaknesses of each technique. Moreover, the book tabulates comparative accuracy studies, giving readers an unbiased comparison of all the available techniques. Part Three, Related Topics, addresses new, emerging, and complementary technologies, including bioinformatics, simulations at the cellular and organ level, synthesis route prediction, proteomics, and prodrug approaches. The book's accompanying CD-ROM, a special feature, offers graphics of the molecular structures and dynamic reactions discussed in the book as well as demos from computational drug design software companies. Computational Drug Design is ideal for both students and professionals in drug design, helping them choose and take full advantage of the best computational tools available. Note: CD-ROM/DVD and other supplementary materials are not included as part of eBook file.

Ligand Design for G Protein-coupled Receptors

Author : Didier Rognan
Publisher : John Wiley & Sons
ISBN 13 : 3527608265
Total Pages : 284 pages
Book Rating : 4.5/5 (276 download)

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Book Synopsis Ligand Design for G Protein-coupled Receptors by : Didier Rognan

Download or read book Ligand Design for G Protein-coupled Receptors written by Didier Rognan and published by John Wiley & Sons. This book was released on 2006-08-21 with total page 284 pages. Available in PDF, EPUB and Kindle. Book excerpt: G protein-coupled receptors (GPCRs) are one of the most important target classes in pharmacology and are the target of many blockbuster drugs. Yet only with the recent elucidation of the rhodopsin structure have these receptors become amenable to a rational drug design. Based on recent examples from academia and the pharmaceutical industry, this book demonstrates how to apply the whole range of bioinformatics, chemoinformatics and molecular modeling tools to the rational design of novel drugs targeting GPCRs. Essential reading for medicinal chemists and drug designers working with this largest class of drug targets in the human genome.

Chemogenomics

Author : Edgar Jacoby
Publisher : Methods in Molecular Biology
ISBN 13 :
Total Pages : 340 pages
Book Rating : 4.3/5 (91 download)

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Book Synopsis Chemogenomics by : Edgar Jacoby

Download or read book Chemogenomics written by Edgar Jacoby and published by Methods in Molecular Biology. This book was released on 2009-09-17 with total page 340 pages. Available in PDF, EPUB and Kindle. Book excerpt: The establishment, analysis, prediction, and expansion of a comprehensive ligand-target Structure-Activity Relationship (SAR) in the post-genomic era presents a key research challenge for this century. In Chemogenomics: Methods and Applications, experts from academia and industry explore cutting-edge in vitro and in silico approaches available today and outline the relevant aspects of chemistry, biology, and molecular informatics which are the cornerstones of chemogenomics, thus combining introductory concepts with detailed methods and protocols. Covering topics such as target family-oriented compound library design, drug discovery targeting the purinome and co-factor binding sites, as well as the pocketome engine and molecular interaction field approaches, the book emphasizes systemization as an advantage to furthering the difficult science of drug discovery. As a volume in the highly successful Methods in Molecular BiologyTM series format, this work provides the kind of detailed description and implementation advice that is crucial for getting optimal results. Authoritative and practical, Chemogenomics: Methods and Applications presents content which will be of enormous value to those striving for the discovery of new and better therapies for diseases.

Drug Repositioning

Author : Michael J. Barratt
Publisher : John Wiley & Sons
ISBN 13 : 1118274393
Total Pages : 499 pages
Book Rating : 4.1/5 (182 download)

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Book Synopsis Drug Repositioning by : Michael J. Barratt

Download or read book Drug Repositioning written by Michael J. Barratt and published by John Wiley & Sons. This book was released on 2012-04-11 with total page 499 pages. Available in PDF, EPUB and Kindle. Book excerpt: The how's and why's of successful drug repositioning Drug repositioning, also known as drug reprofiling or repurposing, has become an increasingly important part of the drug development process. This book examines the business, technical, scientific, and operational challenges and opportunities that drug repositioning offers. Readers will learn how to perform the latest experimental and computational methods that support drug repositioning, and detailed case studies throughout the book demonstrate how these methods fit within the context of a comprehensive drug repositioning strategy. Drug Repositioning is divided into three parts: Part 1, Drug Repositioning: Business Case, Strategies, and Operational Considerations, examines the medical and commercial drivers underpinning the quest to reposition existing drugs, guiding readers through the key strategic, technical, operational, and regulatory decisions needed for successful drug repositioning programs. Part 2, Application of Technology Platforms to Uncover New Indications and Repurpose Existing Drugs, sets forth computational-based strategies, tools, and databases that have been designed for repositioning studies, screening approaches, including combinations of existing drugs, and a look at the development of chemically modified analogs of approved agents. Part 3, Academic and Non-Profit Initiatives & the Role of Alliances in the Drug Repositioning Industry, explores current investigations for repositioning drugs to treat rare and neglected diseases, which are frequently overlooked by for-profit pharmaceutical companies due to their lack of commercial return. The book's appendix provides valuable resources for drug repositioning researchers, including information on drug repositioning and reformulation companies, databases, government resources and organizations, regulatory agencies, and drug repositioning initiatives from academia and non-profits. With this book as their guide, students and pharmaceutical researchers can learn how to use drug repositioning techniques to extend the lifespan and applications of existing drugs as well as maximize the return on investment in drug research and development.

Metabolic Profiling

Author : Martin Grootveld
Publisher : Royal Society of Chemistry
ISBN 13 : 1849731632
Total Pages : 420 pages
Book Rating : 4.8/5 (497 download)

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Book Synopsis Metabolic Profiling by : Martin Grootveld

Download or read book Metabolic Profiling written by Martin Grootveld and published by Royal Society of Chemistry. This book was released on 2014 with total page 420 pages. Available in PDF, EPUB and Kindle. Book excerpt: An exemplary new book on applications of metabolomic profiling techniques in the areas of drug therapy and toxicology, cancer, obesity, diabetes and cardiovascular, infectious, inflammatory, and oral diseases.

Artificial Intelligence in Drug Discovery

Author : Nathan Brown
Publisher : Royal Society of Chemistry
ISBN 13 : 1839160543
Total Pages : 425 pages
Book Rating : 4.8/5 (391 download)

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Book Synopsis Artificial Intelligence in Drug Discovery by : Nathan Brown

Download or read book Artificial Intelligence in Drug Discovery written by Nathan Brown and published by Royal Society of Chemistry. This book was released on 2020-11-04 with total page 425 pages. Available in PDF, EPUB and Kindle. Book excerpt: Following significant advances in deep learning and related areas interest in artificial intelligence (AI) has rapidly grown. In particular, the application of AI in drug discovery provides an opportunity to tackle challenges that previously have been difficult to solve, such as predicting properties, designing molecules and optimising synthetic routes. Artificial Intelligence in Drug Discovery aims to introduce the reader to AI and machine learning tools and techniques, and to outline specific challenges including designing new molecular structures, synthesis planning and simulation. Providing a wealth of information from leading experts in the field this book is ideal for students, postgraduates and established researchers in both industry and academia.

New Developments in Medicinal Chemistry

Author : Carlton Anthony Taft
Publisher : Bentham Science Publishers
ISBN 13 : 1608059545
Total Pages : 249 pages
Book Rating : 4.6/5 (8 download)

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Book Synopsis New Developments in Medicinal Chemistry by : Carlton Anthony Taft

Download or read book New Developments in Medicinal Chemistry written by Carlton Anthony Taft and published by Bentham Science Publishers. This book was released on 2014-10-10 with total page 249 pages. Available in PDF, EPUB and Kindle. Book excerpt: This e-book series is recommended for readers who are interested in or work with current theoretical and experimental research in medicinal chemistry, with an emphasis on computer aided-drug design and organic synthesis for therapeutic purposes. The e-book series encompasses the multidisciplinary field of medicinal chemistry which overlaps the knowledge of chemistry, physics, biochemistry, biology and pharmacology. The second volume of the series contains the following topics: -Current State-of-the-Art for Virtual Screening and Docking Methods -Estimating Protein-Ligand Binding Affinity by NMR -ADME/Tox Predictions in Drug Design -Bioisosteric Replacements in Drug Design

Small Molecule Medicinal Chemistry

Author : Werngard Czechtizky
Publisher : John Wiley & Sons
ISBN 13 : 1118771699
Total Pages : 546 pages
Book Rating : 4.1/5 (187 download)

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Book Synopsis Small Molecule Medicinal Chemistry by : Werngard Czechtizky

Download or read book Small Molecule Medicinal Chemistry written by Werngard Czechtizky and published by John Wiley & Sons. This book was released on 2015-09-25 with total page 546 pages. Available in PDF, EPUB and Kindle. Book excerpt: Stressing strategic and technological solutions to medicinal chemistry challenges, this book presents methods and practices for optimizing the chemical aspects of drug discovery. Chapters discuss benefits, challenges, case studies, and industry perspectives for improving drug discovery programs with respect to quality and costs. • Focuses on small molecules and their critical role in medicinal chemistry, reviewing chemical and economic advantages, challenges, and trends in the field from industry perspectives • Discusses novel approaches and key topics, like screening collection enhancement, risk sharing, HTS triage, new lead finding approaches, diversity-oriented synthesis, peptidomimetics, natural products, and high throughput medicinal chemistry approaches • Explains how to reduce design-make-test cycle times by integrating medicinal chemistry, physical chemistry, and ADME profiling techniques • Includes descriptive case studies, examples, and applications to illustrate new technologies and provide step-by-step explanations to enable them in a laboratory setting

Metabolism, Pharmacokinetics, and Toxicity of Functional Groups

Author : Dennis A. Smith
Publisher : Royal Society of Chemistry
ISBN 13 : 1849730164
Total Pages : 545 pages
Book Rating : 4.8/5 (497 download)

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Book Synopsis Metabolism, Pharmacokinetics, and Toxicity of Functional Groups by : Dennis A. Smith

Download or read book Metabolism, Pharmacokinetics, and Toxicity of Functional Groups written by Dennis A. Smith and published by Royal Society of Chemistry. This book was released on 2010 with total page 545 pages. Available in PDF, EPUB and Kindle. Book excerpt: Written by medicinal chemists and ADMET scientists with a combined experience of over 300 years this aid to discovering drugs provides detailed coverage on absorption, distribution, metabolism, excretion and toxicology issues associated with new drugs.

Pharmaceutical Data Mining

Author : Konstantin V. Balakin
Publisher : John Wiley & Sons
ISBN 13 : 0470567619
Total Pages : 584 pages
Book Rating : 4.4/5 (75 download)

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Book Synopsis Pharmaceutical Data Mining by : Konstantin V. Balakin

Download or read book Pharmaceutical Data Mining written by Konstantin V. Balakin and published by John Wiley & Sons. This book was released on 2009-11-19 with total page 584 pages. Available in PDF, EPUB and Kindle. Book excerpt: Leading experts illustrate how sophisticated computational data mining techniques can impact contemporary drug discovery and development In the era of post-genomic drug development, extracting and applying knowledge from chemical, biological, and clinical data is one of the greatest challenges facing the pharmaceutical industry. Pharmaceutical Data Mining brings together contributions from leading academic and industrial scientists, who address both the implementation of new data mining technologies and application issues in the industry. This accessible, comprehensive collection discusses important theoretical and practical aspects of pharmaceutical data mining, focusing on diverse approaches for drug discovery—including chemogenomics, toxicogenomics, and individual drug response prediction. The five main sections of this volume cover: A general overview of the discipline, from its foundations to contemporary industrial applications Chemoinformatics-based applications Bioinformatics-based applications Data mining methods in clinical development Data mining algorithms, technologies, and software tools, with emphasis on advanced algorithms and software that are currently used in the industry or represent promising approaches In one concentrated reference, Pharmaceutical Data Mining reveals the role and possibilities of these sophisticated techniques in contemporary drug discovery and development. It is ideal for graduate-level courses covering pharmaceutical science, computational chemistry, and bioinformatics. In addition, it provides insight to pharmaceutical scientists, principal investigators, principal scientists, research directors, and all scientists working in the field of drug discovery and development and associated industries.

Rare Diseases Epidemiology: Update and Overview

Author : Manuel Posada de la Paz
Publisher : Springer
ISBN 13 : 3319671448
Total Pages : 675 pages
Book Rating : 4.3/5 (196 download)

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Book Synopsis Rare Diseases Epidemiology: Update and Overview by : Manuel Posada de la Paz

Download or read book Rare Diseases Epidemiology: Update and Overview written by Manuel Posada de la Paz and published by Springer. This book was released on 2017-12-06 with total page 675 pages. Available in PDF, EPUB and Kindle. Book excerpt: The fields of rare diseases research and orphan products development continue to expand with more products in research and development status. In recent years, the role of the patient advocacy groups has evolved into a research partner with the academic research community and the bio-pharmaceutical industry. Unique approaches to research and development require epidemiological data not previously available to assist in protocol study design and patient recruitment for clinical trials required by regulatory agencies prior to approval for access by patents and practicing physicians.

Chemical Genomics

Author : Stefan Jaroch
Publisher : Springer Science & Business Media
ISBN 13 : 3540376356
Total Pages : 187 pages
Book Rating : 4.5/5 (43 download)

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Book Synopsis Chemical Genomics by : Stefan Jaroch

Download or read book Chemical Genomics written by Stefan Jaroch and published by Springer Science & Business Media. This book was released on 2007-05-26 with total page 187 pages. Available in PDF, EPUB and Kindle. Book excerpt: Chemical genomics is a highly interdisciplinary and very exciting field of research both in academics and in the life sciences industry. The Ernst Schering Research Foundation Workshop 58 was organized to bring together scientific leaders in the field to discuss the implications of chemical genomics for drug discovery. Various aspects of the interface between chemistry and biology are covered in this volume, such as chemogenomics efforts in the pharmaceutical industry, diversity-oriented synthesis, chemogenomic approaches to the study of cell function, screening technologies, and natural products as tools in chemical biology.

Designing Multi-target Drugs

Author : J. Richard Morphy
Publisher : Royal Society of Chemistry
ISBN 13 : 1849733627
Total Pages : 395 pages
Book Rating : 4.8/5 (497 download)

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Book Synopsis Designing Multi-target Drugs by : J. Richard Morphy

Download or read book Designing Multi-target Drugs written by J. Richard Morphy and published by Royal Society of Chemistry. This book was released on 2012 with total page 395 pages. Available in PDF, EPUB and Kindle. Book excerpt: Written by world-renowned experts, this is the first book to gather together knowledge and experiences of the rational discovery of multi-target drugs. It describes the current state of the art, the achievements, and the challenges of the field and lessons learned by researchers.