Chemical Sciences In Early Drug Discovery

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The Evolution of Medicinal Chemistry

The Evolution of Medicinal Chemistry
  • Author : Pierfausto Seneci
  • Publisher : Unknown
  • Release Date : 2017-10-01
  • Total pages : 200
  • ISBN : 0080994202
  • File Size : 50,5 Mb
  • Total Download : 760
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Chemical Sciences in Early Drug Discovery: Medicinal Chemistry 2.0 describes how new technologies and approaches can be used to improve the probability of success in fulfilling the perennial goal of finding and developing new drugs. Drawing on the author's extensive experience consulting and teaching in medicinal chemistry, the book outlines ways in which medicinal chemistry is widening its remit to meet modern demands, and how modern technologies and approaches are facilitating this growth into new fields. Supported by examples throughout, the book is a practical resource for organic-medicinal chemists, biological chemists, and pharmacologists involved in drug discovery. Reviews the key application of chemistry in drug discovery for both medicinal and non-medicinal chemists, clarifying and explaining the role of medicinal chemistry in supporting the modern drug discovery pipeline Shows how a wider Medicinal Chemistry view is essential for anyone in an integrated drug discovery project looking to reduce costs and save time Provides the critical success factors needed to successfully identify hits from both biological and chemical perspectives

Chemical Sciences in Early Drug Discovery

Chemical Sciences in Early Drug Discovery
  • Author : Pierfausto Seneci
  • Publisher : Elsevier
  • Release Date : 2018-06-05
  • Total pages : 194
  • ISBN : 9780080999289
  • File Size : 43,5 Mb
  • Total Download : 388
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Chemical Sciences in Early Drug Discovery: Medicinal Chemistry 2.0 describes how new technologies and approaches can be used to improve the probability of success in fulfilling the perennial goal of finding and developing new drugs. Drawing on the author's extensive experience consulting and teaching in medicinal chemistry, the book outlines ways in which medicinal chemistry is widening its reach to meet modern demands, and how modern technologies and approaches are facilitating this growth into new fields. Supported by examples throughout, the book is a practical resource for organic-medicinal chemists, biological chemists and pharmacologists involved in drug discovery. Reviews the key application of chemistry in drug discovery for both medicinal and non-medicinal chemists, clarifying and explaining the role of medicinal chemistry in supporting the modern drug discovery pipeline Shows how a wider medicinal chemistry view is essential for anyone in an integrated drug discovery project looking to reduce costs and save time Provides the critical success factors needed to successfully identify hits from both biological and chemical perspectives

Cheminformatics and its Applications

Cheminformatics and its Applications
  • Author : Amalia Stefaniu,Azhar Rasul,Ghulam Hussain
  • Publisher : BoD – Books on Demand
  • Release Date : 2020-07-15
  • Total pages : 192
  • ISBN : 9781838800673
  • File Size : 14,5 Mb
  • Total Download : 826
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Cheminformatics has emerged as an applied branch of Chemistry that involves multidisciplinary knowledge, connecting related fields such as chemistry, computer science, biology, pharmacology, physics, and mathematical statistics.The book is organized in two sections, including multiple aspects related to advances in the development of informatic tools and their specific use in compound structure databases with various applications in life sciences, mainly in medicinal chemistry, for identification and development of new therapeutically active molecules. The book covers aspects related to genomic analysis, semantic similarity, chemometrics, pattern recognition techniques, chemical reactivity prediction, drug-likeness assessment, bioavailability, biological target recognition, machine-based drug discovery and design. Results from various computational tools and methods are discussed in the context of new compound design and development, sharing promising opportunities, and perspectives.

Early Drug Development, 2 Volume Set

Early Drug Development, 2 Volume Set
  • Author : Fabrizio Giordanetto
  • Publisher : John Wiley & Sons
  • Release Date : 2018-12-10
  • Total pages : 810
  • ISBN : 9783527341498
  • File Size : 41,9 Mb
  • Total Download : 202
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This one-stop reference systematically covers key aspects in early drug development that are directly relevant to the discovery phase and are required for first-in-human studies. Its broad scope brings together critical knowledge from many disciplines, ranging from process technology to pharmacology to intellectual property issues. After introducing the overall early development workflow, the critical steps of early drug development are described in a sequential and enabling order: the availability of the drug substance and that of the drug product, the prediction of pharmacokinetics and -dynamics, as well as that of drug safety. The final section focuses on intellectual property aspects during early clinical development. The emphasis throughout is on recent case studies to exemplify salient points, resulting in an abundance of practice-oriented information that is usually not available from other sources. Aimed at medicinal chemists in industry as well as academia, this invaluable reference enables readers to understand and navigate the challenges in developing clinical candidate molecules that can be successfully used in phase one clinical trials.

Small Molecule Drug Discovery

Small Molecule Drug Discovery
  • Author : Andrea Trabocchi,Elena Lenci
  • Publisher : Elsevier
  • Release Date : 2019-11-23
  • Total pages : 356
  • ISBN : 9780128183502
  • File Size : 14,6 Mb
  • Total Download : 633
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Small Molecule Drug Discovery: Methods, Molecules and Applications presents the methods used to identify bioactive small molecules, synthetic strategies and techniques to produce novel chemical entities and small molecule libraries, chemoinformatics to characterize and enumerate chemical libraries, and screening methods, including biophysical techniques, virtual screening and phenotypic screening. The second part of the book gives an overview of privileged cyclic small molecules and major classes of natural product-derived small molecules, including carbohydrate-derived compounds, peptides and peptidomimetics, and alkaloid-inspired compounds. The last section comprises an exciting collection of selected case studies on drug discovery enabled by small molecules in the fields of cancer research, CNS diseases and infectious diseases. The discovery of novel molecular entities capable of specific interactions represents a significant challenge in early drug discovery. Small molecules are low molecular weight organic compounds that include natural products and metabolites, as well as drugs and other xenobiotics. When the biological target is well defined and understood, the rational design of small molecule ligands is possible. Alternatively, small molecule libraries are being used for unbiased assays for complex diseases where a target is unknown or multiple factors contribute to a disease pathology. Outlines modern concepts and synthetic strategies underlying the building of small molecules and their chemical libraries useful for drug discovery Provides modern biophysical methods to screening small molecule libraries, including high-throughput screening, small molecule microarrays, phenotypic screening and chemical genetics Presents the most advanced chemoinformatics tools to characterize the structural features of small molecule libraries in terms of chemical diversity and complexity, also including the application of virtual screening approaches Gives an overview of structural features and classification of natural product-derived small molecules, including carbohydrate derivatives, peptides and peptidomimetics, and alkaloid-inspired small molecules

Health and Medicine

Health and Medicine
  • Author : National Research Council,Division on Earth and Life Studies,Board on Chemical Sciences and Technology,Committee on Challenges for the Chemical Sciences in the 21st Century,Organizing Committee for the Workshop on Health and Medicine
  • Publisher : National Academies Press
  • Release Date : 2004-03-02
  • Total pages : 76
  • ISBN : 9780309087209
  • File Size : 24,9 Mb
  • Total Download : 487
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The report assesses the current state of chemistry and chemical engineering within the context of drug discovery, disease diagnosis, and disease prevention. Also addressed are chemical and chemical engineering challenges in pharmaceutical synthesis, delivery, and manufacture.

The Organic Chemistry of Drug Design and Drug Action

The Organic Chemistry of Drug Design and Drug Action
  • Author : Richard B. Silverman
  • Publisher : Elsevier
  • Release Date : 2012-12-02
  • Total pages : 617
  • ISBN : 9780080513379
  • File Size : 12,9 Mb
  • Total Download : 462
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Standard medicinal chemistry courses and texts are organized by classes of drugs with an emphasis on descriptions of their biological and pharmacological effects. This book represents a new approach based on physical organic chemical principles and reaction mechanisms that allow the reader to extrapolate to many related classes of drug molecules. The Second Edition reflects the significant changes in the drug industry over the past decade, and includes chapter problems and other elements that make the book more useful for course instruction. New edition includes new chapter problems and exercises to help students learn, plus extensive references and illustrations Clearly presents an organic chemist's perspective of how drugs are designed and function, incorporating the extensive changes in the drug industry over the past ten years Well-respected author has published over 200 articles, earned 21 patents, and invented a drug that is under consideration for commercialization

High Throughput Analysis for Early Drug Discovery

High Throughput Analysis for Early Drug Discovery
  • Author : James Kyranos
  • Publisher : Elsevier
  • Release Date : 2004-09-18
  • Total pages : 204
  • ISBN : 9780080472928
  • File Size : 48,5 Mb
  • Total Download : 766
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High Throughput Analysis for Early Drug Discovery offers concise and unbiased presentations by synthetic and analytical chemists who have been involved in creating and moving the field of combinatorial chemistry into the academic and industrial mainstream. Since the synthetic method often dictates the appropriate types of analysis, each chapter or section begins with a description of the synthesis approach and its advantages. The description of various combinatorial and high-throughput parallel synthesis techniques provide a relevant point of entry for synthetic chemists who need to set up appropriate characterisation methods for his/her organisation. This is an invaluable resource for all organic and analytical chemists in the pharmaceutical, agrochemical, and biotechnology fields who are either involved in, or beginning to investigate combinatorial techniques to increase overall efficiency and productivity. First reference to focus on the analytical side of synthesis

Small Molecule Drug Discovery

Small Molecule Drug Discovery
  • Author : Andrea Trabocchi,Elena Lenci
  • Publisher : Elsevier
  • Release Date : 2019-12-04
  • Total pages : 356
  • ISBN : 0128183497
  • File Size : 20,9 Mb
  • Total Download : 250
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Small Molecule Drug Discovery: Methods, Molecules and Applications presents the methods used to identify bioactive small molecules, synthetic strategies and techniques to produce novel chemical entities and small molecule libraries, chemoinformatics to characterize and enumerate chemical libraries, and screening methods, including biophysical techniques, virtual screening and phenotypic screening. The second part of the book gives an overview of privileged cyclic small molecules and major classes of natural product-derived small molecules, including carbohydrate-derived compounds, peptides and peptidomimetics, and alkaloid-inspired compounds. The last section comprises an exciting collection of selected case studies on drug discovery enabled by small molecules in the fields of cancer research, CNS diseases and infectious diseases. The discovery of novel molecular entities capable of specific interactions represents a significant challenge in early drug discovery. Small molecules are low molecular weight organic compounds that include natural products and metabolites, as well as drugs and other xenobiotics. When the biological target is well defined and understood, the rational design of small molecule ligands is possible. Alternatively, small molecule libraries are being used for unbiased assays for complex diseases where a target is unknown or multiple factors contribute to a disease pathology. Outlines modern concepts and synthetic strategies underlying the building of small molecules and their chemical libraries useful for drug discovery Provides modern biophysical methods to screening small molecule libraries, including high-throughput screening, small molecule microarrays, phenotypic screening and chemical genetics Presents the most advanced chemoinformatics tools to characterize the structural features of small molecule libraries in terms of chemical diversity and complexity, also including the application of virtual screening approaches Gives an overview of structural features and classification of natural product-derived small molecules, including carbohydrate derivatives, peptides and peptidomimetics, and alkaloid-inspired small molecules

The Practice of Medicinal Chemistry

The Practice of Medicinal Chemistry
  • Author : Camille Georges Wermuth
  • Publisher : Elsevier
  • Release Date : 2003-06-11
  • Total pages : 736
  • ISBN : 9780080497778
  • File Size : 34,9 Mb
  • Total Download : 477
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The Practice of Medicinal Chemistry, 2E, is a single-volume source on the practical aspects of medicinal chemistry. The successful first edition was nicknamed "The Bible" by medicinal chemists, and the second edition has been updated, expanded and refocused to reflect developments over the last decade. Emphasis is put on how medicinal chemists conduct their search for and design of new drug entities. In contrast to competing books, it focuses on the chemistry rather than pharmacological concepts or descriptions of the various therapeutic classes of drugs. Most medicinal chemists working in the pharmaceutical industry are organic synthetic chemists who must acquire a strong knowledge of medicinal chemistry as they enter the industry. This book aims to be their practical handbook - a complete guide to the drug discovery process. * The only book available dealing with the practical aspects of medicinal chemistry * Serves as a complete guide to the drug discovery process, from conception of the molecules to drug production * Updated chapters devoted to the discovery of new lead compounds, including combinatorial chemistry

Drug Target Selection and Validation

Drug Target Selection and Validation
  • Author : Marcus T. Scotti,Carolina L. Bellera
  • Publisher : Springer Nature
  • Release Date : 2022
  • Total pages : 266
  • ISBN : 9783030958954
  • File Size : 30,7 Mb
  • Total Download : 728
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The first book in the newly created book series, Computer-Aided Drug Discovery and Design, focuses on the computational aspects of early drug discovery, drug target identification, and validation. It revises current classical paradigms in target and phenotypic-based drug design with still ingrained approximations and concepts and discusses the research in the new network approach concept that include kinetic selectivity and metabolic analysis. Many often-overlooked approximations and concepts in drug discovery are fully covered. Drug Target Selection and Validation includes both introductory sections and research-based sections to be of use to both students and research scientists in drug discovery, design, kinetics and metabolic analysis. Pharmaceutical scientists, pharmaceutics, drug developers, pharmacologists, biomedical researchers in computer science, medicinal chemists, and precision medicine developers benefit from the information provided. The book concludes with a chapter on chemical and structural databases.

Managing the Drug Discovery Process

Managing the Drug Discovery Process
  • Author : Walter Moos,Susan Miller,Stephen Munk,Barbara Munk
  • Publisher : Woodhead Publishing
  • Release Date : 2016-11-08
  • Total pages : 536
  • ISBN : 9780081006320
  • File Size : 52,9 Mb
  • Total Download : 303
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Managing the Drug Discovery Process: How to Make It More Efficient and Cost-Effective thoroughly examines the current state of pharmaceutical research and development by providing chemistry-based perspectives on biomedical research, drug hunting and innovation. The book also considers the interplay of stakeholders, consumers, and the drug firm with attendant factors, including those that are technical, legal, economic, demographic, political, social, ecological, and infrastructural. Since drug research can be a high-risk, high-payoff industry, it is important to researchers to effectively and strategically manage the drug discovery process. This book takes a closer look at increasing pre-approval costs for new drugs and examines not only why these increases occur, but also how they can be overcome to ensure a robust pharmacoeconomic future. Written in an engaging manner and including memorable insights, this book is aimed at redirecting the drug discovery process to make it more efficient and cost-effective in order to achieve the goal of saving countless more lives through science. A valuable and compelling resource, this is a must-read for all students and researchers in academia and the pharmaceutical industry. Considers drug discovery in multiple R&D venues, including big pharma, large biotech, start-up ventures, academia, and nonprofit research institutes Analyzes the organization of pharmaceutical R&D, taking into account human resources considerations like recruitment and configuration, management of discovery and development processes, and the coordination of internal research within, and beyond, the organization, including outsourced work Presents a consistent, well-connected, and logical dialogue that readers will find both comprehensive and approachable

Physico Chemical Methods in Drug Discovery and Development

Physico Chemical Methods in Drug Discovery and Development
  • Author : Zoran Mandic
  • Publisher : IAPC Publishing
  • Release Date : 2012
  • Total pages : 500
  • ISBN : 9789535694205
  • File Size : 13,5 Mb
  • Total Download : 271
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PDF book entitled Physico Chemical Methods in Drug Discovery and Development written by Zoran Mandic and published by IAPC Publishing which was released on 2012 with total hardcover pages 500, the book become popular and critical acclaim.

The Practice of Medicinal Chemistry

The Practice of Medicinal Chemistry
  • Author : Camille Georges Wermuth,David Aldous,Pierre Raboisson,Didier Rognan
  • Publisher : Elsevier
  • Release Date : 2015-07-01
  • Total pages : 902
  • ISBN : 9780124172135
  • File Size : 26,5 Mb
  • Total Download : 383
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The Practice of Medicinal Chemistry, Fourth Edition provides a practical and comprehensive overview of the daily issues facing pharmaceutical researchers and chemists. In addition to its thorough treatment of basic medicinal chemistry principles, this updated edition has been revised to provide new and expanded coverage of the latest technologies and approaches in drug discovery. With topics like high content screening, scoring, docking, binding free energy calculations, polypharmacology, QSAR, chemical collections and databases, and much more, this book is the go-to reference for all academic and pharmaceutical researchers who need a complete understanding of medicinal chemistry and its application to drug discovery and development. Includes updated and expanded material on systems biology, chemogenomics, computer-aided drug design, and other important recent advances in the field Incorporates extensive color figures, case studies, and practical examples to help users gain a further understanding of key concepts Provides high-quality content in a comprehensive manner, including contributions from international chapter authors to illustrate the global nature of medicinal chemistry and drug development research An image bank is available for instructors at www.textbooks.elsevier.com

Natural Product Chemistry for Drug Discovery

Natural Product Chemistry for Drug Discovery
  • Author : Antony D. Buss,Mark S. Butler
  • Publisher : Royal Society of Chemistry
  • Release Date : 2010
  • Total pages : 459
  • ISBN : 9780854041930
  • File Size : 20,9 Mb
  • Total Download : 155
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This up-to-date summary of natural product chemistry in drug discovery will appeal to scientists, professionals, postgraduates and industrial chemists.

Drug Discovery and Development - E-Book

Drug Discovery and Development - E-Book
  • Author : Raymond G Hill
  • Publisher : Elsevier Health Sciences
  • Release Date : 2012-07-20
  • Total pages : 368
  • ISBN : 9780702053160
  • File Size : 50,5 Mb
  • Total Download : 641
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The modern pharmacopeia has enormous power to alleviate disease, and owes its existence almost entirely to the work of the pharmaceutical industry. This book provides an introduction to the way the industry goes about the discovery and development of new drugs. The first part gives a brief historical account from its origins in the mediaeval apothecaries’ trade, and discusses the changing understanding of what we mean by disease, and what therapy aims to achieve, as well as summarising case histories of the discovery and development of some important drugs. The second part focuses on the science and technology involved in the discovery process: the stages by which a promising new chemical entity is identified, from the starting point of a medical need and an idea for addressing it. A chapter on biopharmaceuticals, whose discovery and development tend to follow routes somewhat different from synthetic compounds, is included here, as well as accounts of patent issues that arise in the discovery phase, and a chapter on research management in this environment. The third section of the book deals with drug development: the work that has to be undertaken to turn the drug candidate that emerges from the discovery process into a product on the market. The definitive introduction to how a pharmaceutical company goes about its business of discovering and developing drugs. The second edition has a new editor: Professor Raymond Hill ● non-executive director of Addex Pharmaceuticals, Covagen and of Orexo AB ● Visiting Industrial Professor of Pharmacology in the University of Bristol ● Visiting Professor in the School of Medical and Health Sciences at the University of Surrey ● Visiting Professor in Physiology and Pharmacology at the University of Strathclyde ● President and Chair of the Council of the British Pharmacological Society ● member of the Nuffield Council on Bioethics and the Advisory Council on Misuse of Drugs. New to this edition: Completely rewritten chapter on The Role of Medicinal Chemistry in the Drug Discovery Process. New topic - DMPK Optimization Strategy in drug discovery. New chapter on Scaffolds: Small globular proteins as antibody substitutes. Totally updated chapters on Intellectual Property and Marketing 50 new illustrations in full colour Features Accessible, general guide to pharmaceutical research and development. Examines the interfaces between cost and social benefit, quality control and mass production, regulatory bodies, patent management, and all interdisciplinary intersections essential to effective drug development. Written by a strong team of scientists with long experience in the pharmaceutical industry. Solid overview of all the steps from lab bench to market in an easy-to-understand way which will be accessible to non-specialists. From customer reviews of the previous edition: ‘... it will have everything you need to know on this module. Deeply referenced and, thus, deeply reliable. Highly Commended in the medicine category of the BMA 2006 medical book competition Winner of the Royal Society of Medicine Library Prize for Medical Book of the Year

Challenges in Chemistry Graduate Education

Challenges in Chemistry Graduate Education
  • Author : National Research Council,Division on Earth and Life Studies,Board on Chemical Sciences and Technology,Committee on Challenges in Chemistry Graduate Education; Board on Chemical Sciences
  • Publisher : National Academies Press
  • Release Date : 2012-08-21
  • Total pages : 96
  • ISBN : 9780309257114
  • File Size : 32,5 Mb
  • Total Download : 774
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Chemistry graduate education is under considerable pressure. Pharmaceutical companies, long a major employer of synthetic organic chemists, are drastically paring back their research divisions to reduce costs. Chemical companies are opening new research and development facilities in Asia rather than in the United States to take advantage of growing markets and trained workforces there. Universities, especially public universities, are under significant fiscal constraints that threaten their ability to hire new faculty members. Future federal funding of chemical research may be limited as the federal budget tightens. All of these trends have major consequences for the education of chemistry graduate students in U.S. universities. To explore and respond to these intensifying pressures, the Board on Chemical Sciences and Technology held a workshop in Washington, DC, on January 23-24 2012, titled "Graduate Education in Chemistry in the Context of a Changing Environment." The workshop brought together representatives from across the chemical enterprise, representing leaders and future leaders of academia, industry, and government. The goal of the workshop was not to come to conclusions, but to have an open and frank discussion about critical issues affecting chemistry graduate education, such as the attraction and retainment of the most able students to graduate education, financial stressors on the current support model and their implications for the future model, competencies needed in the changing job market for Ph.D. chemists, and competencies needed to address societal problems such as energy and sustainability. Challenges in Chemistry Graduate Education: A Workshop Summary is organized into six chapters and summarizes the workshop on "Graduate Education in Chemistry in the Context of a Changing Environment."

Chemical Biology

Chemical Biology
  • Author : Tomi K. Sawyer,Raimund Mannhold,Hugo Kubinyi,Gerd Folkers
  • Publisher : Wiley-VCH
  • Release Date : 2010-07-28
  • Total pages : 400
  • ISBN : 3527322981
  • File Size : 37,8 Mb
  • Total Download : 502
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Compiled by one of the pioneers in the industrial use of chemical biology, this is the first stand-alone publication to systematically address its application to the drug discovery process. The three main parts cover the concepts, methods, and tools, taking in such a wide variety of technologies as chemical genetics, high-throughput screening, bioengineering and bioinformatics. Backed by the key players in the global pharmaceutical market, with the editor and authors relating their first-hand experience.

A Handbook for DNA-Encoded Chemistry

A Handbook for DNA-Encoded Chemistry
  • Author : Robert A. Goodnow, Jr.
  • Publisher : John Wiley & Sons
  • Release Date : 2014-04-28
  • Total pages : 495
  • ISBN : 9781118487686
  • File Size : 55,5 Mb
  • Total Download : 302
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This book comprehensively describes the development and practice of DNA-encoded library synthesis technology. Together, the chapters detail an approach to drug discovery that offers an attractive addition to the portfolio of existing hit generation technologies such as high-throughput screening, structure-based drug discovery and fragment-based screening. The book: Provides a valuable guide for understanding and applying DNA-encoded combinatorial chemistry Helps chemists generate and screen novel chemical libraries of large size and quality Bridges interdisciplinary areas of DNA-encoded combinatorial chemistry – synthetic and analytical chemistry, molecular biology, informatics, and biochemistry Shows medicinal and pharmaceutical chemists how to efficiently broaden available “chemical space” for drug discovery Provides expert and up-to-date summary of reported literature for DNA-encoded and DNA-directed chemistry technology and methods

Chemogenomics in Drug Discovery

Chemogenomics in Drug Discovery
  • Author : Hugo Kubinyi,Gerhard Müller
  • Publisher : John Wiley & Sons
  • Release Date : 2006-03-06
  • Total pages : 487
  • ISBN : 9783527604029
  • File Size : 17,6 Mb
  • Total Download : 644
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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.

Chemical and Structural Approaches to Rational Drug Design

Chemical and Structural Approaches to Rational Drug Design
  • Author : David B. Weiner,William V. Williams
  • Publisher : CRC Press
  • Release Date : 2020-12-17
  • Total pages : 288
  • ISBN : 9781000099058
  • File Size : 19,8 Mb
  • Total Download : 641
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This book is the first to provide both a broad overview of the current methodologies being applied to drug design and in-depth analyses of progress in specific fields. It details state-of-the-art approaches to pharmaceutical development currently used by some of the world's foremost laboratories. The book features contributors from a variety of fields, new techniques, previously unpublished data, and extensive reference lists.