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Author: P.M. Dean
Publisher: Springer Science & Business Media
ISBN: 0306468735
Category : Science
Languages : en
Pages : 261
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Book Description
High-throughput screening and combinatorial chemistry are two of the most potent weapons ever to have been used in the discovery of new drugs. At a stroke, it seems to be possible to synthesise more molecules in a month than have previously been made in the whole of the distinguished history of organic chemistry, Furthermore, all the molecules can be screened in the same short period. However, like any weapons of immense power, these techniques must be used with care, to achieve maximum impact. The costs of implementing and running high-throughput screening and combinatorial chemistry are high, as large dedicated facilities must be built and staffed. In addition, the sheer number of chemical leads generated may overwhelm the lead optimisation teams in a hail of friendly fire. Mother nature has not entirely surrendered, as the number of building blocks that could be used to build libraries would require more atoms than there are in the universe. In addition, the progress made by the Human Genome Project has uncovered many proteins with different functions but related binding sites, creating issues of selectivity. Advances in the new field of pharmacogenomics will produce more of these challenges. There is a real need to make hi- throughput screening and combinatorial chemistry into 'smart' weapons, so that their power is not dissipated. That is the challenge for modellers, computational chemists, cheminformaticians and IT experts. In this book, we have broken down this grand challenge into key tasks.
Author: P.M. Dean
Publisher: Springer Science & Business Media
ISBN: 0306468735
Category : Science
Languages : en
Pages : 261
Get Book
Book Description
High-throughput screening and combinatorial chemistry are two of the most potent weapons ever to have been used in the discovery of new drugs. At a stroke, it seems to be possible to synthesise more molecules in a month than have previously been made in the whole of the distinguished history of organic chemistry, Furthermore, all the molecules can be screened in the same short period. However, like any weapons of immense power, these techniques must be used with care, to achieve maximum impact. The costs of implementing and running high-throughput screening and combinatorial chemistry are high, as large dedicated facilities must be built and staffed. In addition, the sheer number of chemical leads generated may overwhelm the lead optimisation teams in a hail of friendly fire. Mother nature has not entirely surrendered, as the number of building blocks that could be used to build libraries would require more atoms than there are in the universe. In addition, the progress made by the Human Genome Project has uncovered many proteins with different functions but related binding sites, creating issues of selectivity. Advances in the new field of pharmacogenomics will produce more of these challenges. There is a real need to make hi- throughput screening and combinatorial chemistry into 'smart' weapons, so that their power is not dissipated. That is the challenge for modellers, computational chemists, cheminformaticians and IT experts. In this book, we have broken down this grand challenge into key tasks.
Author: Eric M. Gordon
Publisher: Wiley-Liss
ISBN:
Category : Medical
Languages : en
Pages : 552
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Book Description
COMBINATORIAL CHEMISTRY AND MOLECULAR DIVERSITY IN DRUG DISCOVERY Edited by Eric M. Gordon and James F. Kerwin, Jr. Increasing pressure to identify, optimize, develop, and commercialize novel drugs more rapidly and more cost-effectively has led to an urgent demand for technologies that can reduce the time to market for new products. Molecular diversity, of both natural and synthetic materials, provides a valuable source of compounds for identifying and optimizing new drug leads. Through the rapidly evolving technology of combinatorial chemistry, it is now possible to produce libraries of small molecules to screen for novel bioactivities. This powerful new technology has begun to help pharmaceutical companies find new drug candidates quickly, save significant dollars in preclinical development costs, and ultimately change their fundamental approach to drug discovery. Comprising the work of the leading authorities in the area of molecular diversity and combinatorial chemistry, Combinatorial Chemistry and Molecular Diversity in Drug Discovery highlights the critical concepts and issues involved in implementing combinatorial chemistry to create chemical libraries. The authors, industrial and academic experts in the field, apply combinatorial technologies to drug discovery and development and place co-evolving technologies and practices in a global framework. Included among the many topics: * Historical background. * Library strategy and design. * Solid-phase synthesis. * Small molecular libraries. * Automation, analytical, and computational methodology. * Biological diversity. * Strategies for screening combinatorial libraries. * Combinatorial drug screening and development. * Combinatorial chemistry information management. Combinatorial Chemistry and Molecular Diversity in Drug Discovery is one of the first comprehensive books to cover this explosive area. It is must reading for medicinal chemists, pharmacologists, molecular biologists, biochemists, enzymologists, and drug discovery research managers in industry, academia, and government.
Author: Peter Willett
Publisher:
ISBN:
Category : Combinatorial chemistry
Languages : en
Pages : 200
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Book Description
Author: Irwin M. Chaiken
Publisher:
ISBN:
Category : Medical
Languages : en
Pages : 346
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Book Description
Reports progress on chemical, enzymatic, phage, and cell-derived libra ries. Discusses synergy between structure-based design and combinatori al libraries. Presents applications of combinatorial libraries to drug discovery and new synthetic catalysis. Reports library screening appr oaches, including the use of NMR. Presents recent advances in solid-ph ase organic synthesis, liquid-phase organic synthesis, and high-throug hput combinatorial organic synthesis. Discusses automation of organic synthesis as well as new methodologies for monitoring solid-phase orga nic synthesis.
Author: Paul A Bartlett
Publisher: Royal Society of Chemistry
ISBN: 1847552552
Category : Science
Languages : en
Pages : 444
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Book Description
Conceptual and technological advances in chemistry and biology have transformed the drug discovery process. Evolutionary pressure among the diverse scientific and engineering disciplines that contribute to the identification of biologically active compounds has resulted in synergistic improvements at every step in the process. Exploiting Chemical Diversity for Drug Discovery encompasses the many components of this transformation and presents the current state-of-the-art of this critical endeavour. From the theoretical and operational considerations in generating a collection of compounds to screen, to the design and implementation of high-capacity and high-quality assays that provide the most useful biological information, this book provides a comprehensive overview of modern approaches to lead identification. Beginning with an introductory overview, subsequent chapters address topics that include the design of chemical libraries and methods for optimizing their diversity; automated and accelerated chemistry; high throughput assay design and detection techniques; and strategies for data analysis and property optimization. Written by experts in the field, both academic and industrial, and illustrated in full colour, this book provides an excellent overview for current practitioners and will also serve as a stimulating resource for future generations. Researchers in organic and medicinal chemistry, the biological and pharmacological sciences, as well as those interested in allied computational and engineering disciplines will value the comprehensive and up-to-date coverage.
Author: Andrea Trabocchi
Publisher: John Wiley & Sons
ISBN: 1118618149
Category : Science
Languages : en
Pages : 664
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Book Description
Discover an enhanced synthetic approach to developing andscreening chemical compound libraries Diversity-oriented synthesis is a new paradigm for developinglarge collections of structurally diverse small molecules as probesto investigate biological pathways. This book presents the mosteffective methods in diversity-oriented synthesis for creatingsmall molecule collections. It offers tested and proven strategiesfor developing diversity-oriented synthetic libraries and screeningmethods for identifying ligands. Lastly, it explores some promisingnew applications based on diversity-oriented synthesis that havethe potential to dramatically advance studies in drug discovery andchemical biology. Diversity-Oriented Synthesis begins with an introductorychapter that explores the basics, including a discussion of therelationship between diversity-oriented synthesis and classiccombinatorial chemistry. Divided into four parts, the book: Offers key chemical methods for the generation of smallmolecules using diversity-oriented principles, includingpeptidomimetics and macrocycles Expands on the concept of diversity-oriented synthesis bydescribing chemical libraries Provides modern approaches to screening diversity-orientedsynthetic libraries, including high-throughput and high-contentscreening, small molecule microarrays, and smart screeningassays Presents the applications of diversity-oriented syntheticlibraries and small molecules in drug discovery and chemicalbiology, reporting the results of key studies and forecasting therole of diversity-oriented synthesis in future biomedicalresearch This book has been written and edited by leading internationalexperts in organic synthesis and its applications. Theircontributions are based on a thorough review of the currentliterature as well as their own firsthand experience developingsynthetic methods and applications. Clearly written and extensively referenced,Diversity-Oriented Synthesis introduces novices to thishighly promising field of research and serves as a springboard forexperts to advance their own research studies and develop newapplications.
Author: M.R. Pavia
Publisher: Springer Science & Business Media
ISBN: 9401707359
Category : Science
Languages : en
Pages : 174
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Book Description
Combinatorial chemistry and molecular diversity approaches to scientific and novel product R & D have exploded in the 1990s. For example, in the preparation of drug candidates, the automated, permutational, and combinatorial use of chemical building blocks now allows the generation and screening of unprecedented numbers of compounds. Drug discovery - better, faster, cheaper? Indeed more compounds have been made and screened in the 1990s than in the last hundred years of pharmaceutical research. The second volume in this series includes contributions on methods, solid phases, purification, analysis, carbohydrates, patent strategies and tactics, diversity profiling and combinatorial series design, and finishes with a survey of chemical libraries yielding biologically active agents and a compendium of solid phase chemistry publications. Each contribution is prepared by a recognized expert resulting in a high quality account of the recent advances in the field.
Author: Arup Ghose
Publisher: CRC Press
ISBN: 9780824704872
Category : Medical
Languages : en
Pages : 658
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Book Description
This text traces developments in rational drug discovery and combinatorial library design with contributions from 50 leading scientists in academia and industry who offer coverage of basic principles, design strategies, methodologies, software tools and algorithms, and applications. It outlines the fundamentals of pharmacophore modelling and 3D Quantitative Structure-Activity Relationships (QSAR), classical QSAR, and target protein structure-based design methods.
Author: David J. Livingstone
Publisher: Royal Society of Chemistry
ISBN: 1849731667
Category : Medical
Languages : en
Pages : 517
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Book Description
This book brings together drug design practitioners, all leaders in their field, who are actively advancing the field of quantitative methods to guide drug discovery, from structure-based design to empirical statistical models - from rule-based approaches to toxicology to the fields of bioinformatics and systems biology. The aim of the book is to show how various facets of the drug discovery process can be addressed in a quantitative fashion (ie: numerical analysis to enable robust predictions to be made). Each chapter includes a brief review of the topic showing the historical development of.
Author: Roy, Kunal
Publisher: IGI Global
ISBN: 1466681373
Category : Technology & Engineering
Languages : en
Pages : 727
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Book Description
Quantitative structure-activity relationships (QSARs) represent predictive models derived from the application of statistical tools correlating biological activity or other properties of chemicals with descriptors representative of molecular structure and/or property. Quantitative Structure-Activity Relationships in Drug Design, Predictive Toxicology, and Risk Assessment discusses recent advancements in the field of QSARs with special reference to their application in drug development, predictive toxicology, and chemical risk analysis. Focusing on emerging research in the field, this book is an ideal reference source for industry professionals, students, and academicians in the fields of medicinal chemistry and toxicology.
