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Molecular Diversity In Drug Design
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Book Synopsis Molecular Diversity in Drug Design by : P.M. Dean
Download or read book Molecular Diversity in Drug Design written by P.M. Dean and published by Springer Science & Business Media. This book was released on 2007-05-08 with total page 261 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Book Synopsis Combinatorial Chemistry and Molecular Diversity in Drug Discovery by : Eric M. Gordon
Download or read book Combinatorial Chemistry and Molecular Diversity in Drug Discovery written by Eric M. Gordon and published by Wiley-Liss. This book was released on 1998-08-27 with total page 552 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Book Synopsis Molecular Diversity and Combinatorial Chemistry by : Irwin M. Chaiken
Download or read book Molecular Diversity and Combinatorial Chemistry written by Irwin M. Chaiken and published by . This book was released on 1996 with total page 346 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Book Synopsis Exploiting Chemical Diversity for Drug Discovery by : Paul A Bartlett
Download or read book Exploiting Chemical Diversity for Drug Discovery written by Paul A Bartlett and published by Royal Society of Chemistry. This book was released on 2007-10-31 with total page 444 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Book Synopsis Annual Reports in Combinatorial Chemistry and Molecular Diversity by : M.R. Pavia
Download or read book Annual Reports in Combinatorial Chemistry and Molecular Diversity written by M.R. Pavia and published by Springer Science & Business Media. This book was released on 2013-04-18 with total page 174 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Book Synopsis Computational Methods for the Analysis of Molecular Diversity by : Peter Willett
Download or read book Computational Methods for the Analysis of Molecular Diversity written by Peter Willett and published by . This book was released on 1997 with total page 200 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Combinatorial Library Design and Evaluation by : Arup Ghose
Download or read book Combinatorial Library Design and Evaluation written by Arup Ghose and published by CRC Press. This book was released on 2001-06-26 with total page 658 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Book Synopsis Drug Design Strategies by : David J. Livingstone
Download or read book Drug Design Strategies written by David J. Livingstone and published by Royal Society of Chemistry. This book was released on 2012 with total page 517 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Book Synopsis Quantitative Structure-Activity Relationships in Drug Design, Predictive Toxicology, and Risk Assessment by : Roy, Kunal
Download or read book Quantitative Structure-Activity Relationships in Drug Design, Predictive Toxicology, and Risk Assessment written by Roy, Kunal and published by IGI Global. This book was released on 2015-02-28 with total page 727 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Book Synopsis Diversity-Oriented Synthesis by : Andrea Trabocchi
Download or read book Diversity-Oriented Synthesis written by Andrea Trabocchi and published by John Wiley & Sons. This book was released on 2013-06-17 with total page 550 pages. Available in PDF, EPUB and Kindle. Book excerpt: Discover an enhanced synthetic approach to developing and screening chemical compound libraries Diversity-oriented synthesis is a new paradigm for developing large collections of structurally diverse small molecules as probes to investigate biological pathways. This book presents the most effective methods in diversity-oriented synthesis for creating small molecule collections. It offers tested and proven strategies for developing diversity-oriented synthetic libraries and screening methods for identifying ligands. Lastly, it explores some promising new applications based on diversity-oriented synthesis that have the potential to dramatically advance studies in drug discovery and chemical biology. Diversity-Oriented Synthesis begins with an introductory chapter that explores the basics, including a discussion of the relationship between diversity-oriented synthesis and classic combinatorial chemistry. Divided into four parts, the book: Offers key chemical methods for the generation of small molecules using diversity-oriented principles, including peptidomimetics and macrocycles Expands on the concept of diversity-oriented synthesis by describing chemical libraries Provides modern approaches to screening diversity-oriented synthetic libraries, including high-throughput and high-content screening, small molecule microarrays, and smart screening assays Presents the applications of diversity-oriented synthetic libraries and small molecules in drug discovery and chemical biology, reporting the results of key studies and forecasting the role of diversity-oriented synthesis in future biomedical research This book has been written and edited by leading international experts in organic synthesis and its applications. Their contributions are based on a thorough review of the current literature as well as their own firsthand experience developing synthetic methods and applications. Clearly written and extensively referenced, Diversity-Oriented Synthesis introduces novices to this highly promising field of research and serves as a springboard for experts to advance their own research studies and develop new applications.
Book Synopsis Chemoinformatics in Drug Discovery by : Tudor I. Oprea
Download or read book Chemoinformatics in Drug Discovery written by Tudor I. Oprea and published by John Wiley & Sons. This book was released on 2006-03-06 with total page 515 pages. Available in PDF, EPUB and Kindle. Book excerpt: This handbook provides the first-ever inside view of today's integrated approach to rational drug design. Chemoinformatics experts from large pharmaceutical companies, as well as from chemoinformatics service providers and from academia demonstrate what can be achieved today by harnessing the power of computational methods for the drug discovery process. With the user rather than the developer of chemoinformatics software in mind, this book describes the successful application of computational tools to real-life problems and presents solution strategies to commonly encountered problems. It shows how almost every step of the drug discovery pipeline can be optimized and accelerated by using chemoinformatics tools -- from the management of compound databases to targeted combinatorial synthesis, virtual screening and efficient hit-to-lead transition. An invaluable resource for drug developers and medicinal chemists in academia and industry.
Book Synopsis Small Molecule Drug Discovery by : Andrea Trabocchi
Download or read book Small Molecule Drug Discovery written by Andrea Trabocchi and published by Elsevier. This book was released on 2019-11-23 with total page 358 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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
Book Synopsis Structure-property Correlations in Drug Research by : Han van de Waterbeemd
Download or read book Structure-property Correlations in Drug Research written by Han van de Waterbeemd and published by . This book was released on 1996 with total page 228 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book provides an overview of statistical chemometric methods used in the rapidly changing arena of drug discovery. It deals with physicochemical molecular descriptors, modern statistical methods to study structure-property and structure-activity relationships, including three-dimensional QSAR approaches and the concepts of molecular diversity. All scientists who investigate quantitative structure-activity relationships in medicinal, agricultural, or environmental chemistry should benefit from this book.
Book Synopsis Methods and Applications of Cycloaddition Reactions in Organic Syntheses by : Nagatoshi Nishiwaki
Download or read book Methods and Applications of Cycloaddition Reactions in Organic Syntheses written by Nagatoshi Nishiwaki and published by John Wiley & Sons. This book was released on 2013-12-17 with total page 996 pages. Available in PDF, EPUB and Kindle. Book excerpt: Advanced tools for developing new functional materials and applications in chemical research, pharmaceuticals, and materials science Cycloadditions are among the most useful tools for organic chemists, enabling them to build carbocyclic and heterocyclic structures. These structures can then be used to develop a broad range of functional materials, including pharmaceuticals, agrochemicals, dyes, and optics. With contributions from an international team of leading experts and pioneers in cycloaddition chemistry, this book brings together and reviews recent advances, trends, and emerging research in the field. Methods and Applications of Cycloaddition Reactions in Organic Syntheses focuses on two component cycloadditions, with chapters covering such topics as: N1 unit transfer reaction to C–C double bonds [3+2] Cycloaddition of α, β-unsaturated metal-carbene complexes Formal [3+3] cycloaddition approach to natural product synthesis Development of new methods for the construction of heterocycles based on cycloaddition reaction of 1,3-dipoles Cycloreversion approach for preparation of large π-conjugated compounds Transition metal-catalyzed or mediated [5+1] cycloadditions Readers will learn methods for seamlessly executing important reactions such as Diels-Alder and stereoselective dipolar reactions in order to fabricate heterocyclic compounds, natural products, and functional molecules. The book not only features cutting-edge topics, but also important background information, such as the contributors’ process for developing new methodologies, to help novices become fully adept in the field. References at the end of each chapter lead to original research papers and reviews for facilitating further investigation of individual topics. Covering the state of the science and technology, Methods and Applications of Cycloaddition Reactions in Organic Syntheses enables synthetic organic chemists to advance their research and develop new functional materials and applications in chemical research, pharmaceuticals, and materials science.
Book Synopsis In Silico Drug Design by : Kunal Roy
Download or read book In Silico Drug Design written by Kunal Roy and published by Academic Press. This book was released on 2019-02-12 with total page 886 pages. Available in PDF, EPUB and Kindle. Book excerpt: In Silico Drug Design: Repurposing Techniques and Methodologies explores the application of computational tools that can be utilized for this approach. The book covers theoretical background and methodologies of chem-bioinformatic techniques and network modeling and discusses the various applied strategies to systematically retrieve, integrate and analyze datasets from diverse sources. Other topics include in silico drug design methods, computational workflows for drug repurposing, and network-based in silico screening for drug efficacy. With contributions from experts in the field and the inclusion of practical case studies, this book gives scientists, researchers and R&D professionals in the pharmaceutical industry valuable insights into drug design. Discusses the theoretical background and methodologies of useful techniques of cheminformatics and bioinformatics that can be applied for drug repurposing Offers case studies relating to the in silico modeling of FDA-approved drugs for the discovery of antifungal, anticancer, antiplatelet agents, and for drug therapies against diseases Covers tools and databases that can be utilized to facilitate in silico methods for drug repurposing
Book Synopsis Chemoinformatics Approaches to Structure- and Ligand-Based Drug Design by : Adriano D. Andricopulo
Download or read book Chemoinformatics Approaches to Structure- and Ligand-Based Drug Design written by Adriano D. Andricopulo and published by Frontiers Media SA. This book was released on 2019-02-05 with total page 415 pages. Available in PDF, EPUB and Kindle. Book excerpt: Chemoinformatics is paramount to current drug discovery. Structure- and ligand-based drug design strategies have been used to uncover hidden patterns in large amounts of data, and to disclose the molecular aspects underlying ligand-receptor interactions. This Research Topic aims to share with a broad audience the most recent trends in the use of chemoinformatics in drug design. To that end, experts in all areas of drug discovery have made their knowledge available through a series of articles that report state-of-the-art approaches. Readers are provided with outstanding contributions focusing on a wide variety of topics which will be of great value to those interested in the many different and exciting facets of drug design.
Book Synopsis Fragment-based Approaches in Drug Discovery by : Wolfgang Jahnke
Download or read book Fragment-based Approaches in Drug Discovery written by Wolfgang Jahnke and published by John Wiley & Sons. This book was released on 2006-12-13 with total page 391 pages. Available in PDF, EPUB and Kindle. Book excerpt: This first systematic summary of the impact of fragment-based approaches on the drug development process provides essential information that was previously unavailable. Adopting a practice-oriented approach, this represents a book by professionals for professionals, tailor-made for drug developers in the pharma and biotech sector who need to keep up-to-date on the latest technologies and strategies in pharmaceutical ligand design. The book is clearly divided into three sections on ligand design, spectroscopic techniques, and screening and drug discovery, backed by numerous case studies.
