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| chemical biology and drug design: Chemical Biology Natanya Civjan, 2012-08-07 An authoritative look at the application of chemical biology in drug discovery and development Based on the award-winning Wiley Encyclopedia of Chemical Biology published in 2008, this book explores the role of chemical biology in drug discovery and development. The first part of the book reviews key principles and techniques used in the design and evaluation of drug candidates. The second part elucidates biological mechanisms of certain diseases, illuminating approaches to investigate and target these diseases. Comprising carefully selected reprints from the Encyclopedia as well as new contributions from leading scholars in the field, this book provides researchers in academia and industry with important information to aid in the development of novel agents to treat disease. Self-contained articles cover a variety of essential topics, including: The design, development, and optimization of drug candidates The pharmacokinetics and properties of drugs Drug transport and delivery Natural products and natural product models as pharmaceuticals Biological mechanisms underlying health and disease Treatment strategies for a range of diseases, from HIV to schizophrenia Chemical Biology is a top-notch guide and reference for anyone working in the areas of drug discovery and development, including researchers in chemical biology and other fields such as biochemistry, medicine, and pharmaceutical sciences. |
| chemical biology and drug design: Aminoglycoside Antibiotics Dev P. Arya, 2007-06-29 Advances that open new avenues in developing aminoglycoside antibiotics During the last twenty years, there have been numerous advances in the understanding of the chemistry, biochemistry, and recognition of aminoglycosides. This has led to the development of novel antibiotics and opened up new therapeutic targets for intervention. This is the first book to provide a complete overview of recent advances in the field and explore their tremendous potential for drug discovery and rational drug design. With chapters written by one or more leading experts in their specialty areas, the book addresses the chemistry, biology, and toxicology of aminoglycosides. Aminoglycoside Antibiotics: From Chemical Biology to Drug Discovery is a great resource for academic and industrial researchers in drug design and mechanism studies and for researchers studying antibiotic resistance, antibiotic design and synthesis, and the discovery of novel pharmaceuticals. It is also a valuable reference for graduate students in pharmacy, pharmaceutical science, biophysics, medicinal chemistry, and chemical biology. |
| chemical biology and drug design: Textbook of Drug Design and Discovery, Third Edition Tommy Liljefors, Povl Krogsgaard-Larsen, Ulf Madsen, 2002-07-25 Building on the success of the previous editions, Textbook of Drug Design and Discovery has been thoroughly revised and updated to provide a complete source of information on all facets of drug design and discovery for students of chemistry, pharmacy, pharmacology, biochemistry, and medicine. The book follows drug design from the initial lead identification through optimization and structure-activity relationship with reference to the final processes of clinical evaluation and registration. Chapters investigate the design of enzyme inhibitors and drugs for particular cellular targets such as ion channels and receptors, and also explore specific classes of drug such as peptidomimetics, antivirals and anticancer agents. The use of gene technology in pharmaceutical research, computer modeling techniques, and combinatorial approaches are also included. |
| chemical biology and drug design: The Ups and Downs in Drug Design Victor E. Marquez, 2021-11-15 The Ups and Downs in Drug Design: Adventures in Medicinal Chemistry highlights the necessity for an integrative approach in medicinal chemistry and chemical biology. As medicinal chemistry is not a monolithic science, it is important to emphasize the other various disciplines that are required for successful drug design. This book presents the author’s own personal experience in this field and describes the ups and downs that come with drug discovery. It is an excellent companion text for graduate and postgraduate students who would like further insight into the parameters of drug design, including the challenges that come with the project. Key Features Illustrates real-life examples in medicinal chemistry Integrates the use of physical, chemical, and biological concepts that are important in drug design Highlights the ups and downs that come with drug discovery Aims to inspire students who may be struggling with the challenges and thought process in drug design Intends to be an excellent companion text for graduate and postgraduate students |
| chemical biology and drug design: Biotherapeutics Lyn Jones, Andrew J McKnight, 2013-09-06 This book illustrates the successful partnership of chemistry and biology to advance successful biotherapeutic modalities. Molecular design to create function is common to both chemical and molecular biology, and this text highlights recent developments from these disciplines that have delivered drugs, clinical candidates or significantly advanced biotherapeutic approaches. Biotherapeutics are often considered to be beyond the reach of the medicinal chemist, but this book demonstrates that chemistry has an essential role in the future success of this area, by explaining and describing the chemical biology technologies that underpin specific therapeutic advances and demonstrating the unique value of molecular design and understanding. Covering topics such as selective protein modification, immunopharmacotherapy, chemically programmed vaccinations, nanobodies and antibodies, this book provides essential reading for medicinal and pharmaceutical chemists working in both industry and academia. |
| chemical biology and drug design: Fluorine in Medicinal Chemistry and Chemical Biology Iwao Ojima, 2009-03-23 The extraordinary potential of fluorine-containing molecules in medicinal chemistry and chemical biology has been recognized by researchers outside of the traditional fluorine chemistry field, and thus a new wave of fluorine chemistry is rapidly expanding its biomedical frontiers. With several of the best selling drugs in the world crucially containing fluorine atoms, the incorporation of fluorine to drug leads has become an essential practice in biomedical research, especially for drug design and discovery as well as development. Focusing on the unique and significant roles that fluorine plays in medicinal chemistry and chemical biology, this book reviews recent advances and future prospects in this rapidly developing field. Topics covered include: Discovery and development of fluorine containing drugs and drug candidates. New and efficient synthetic methods for medicinal chemistry and the optimisation of fluorine-containing drug candidates. Structural and chemical biology of fluorinated amino acids and peptides. Fluorine labels as probes in metabolic study, protein engineering and clinical diagnosis. Applications of 19F NMR spectroscopy in biomedical research. An appendix presents an invaluable index of all fluorine-containing drugs that have been approved by the US Food and Drug Administration, including information on structure and pharmaceutical action. Fluorine in Medicinal Chemistry and Chemical Biology will serve as an excellent reference source for graduate students as well as academic and industrial researchers who want to take advantage of fluorine in biomedical research. |
| chemical biology and drug design: Computational Tools for Chemical Biology Sonsoles Martín-Santamaría, 2017-11-01 This book offers a fresh perspective on how computational tools can aid the chemical biology research community and drive new research. |
| chemical biology and drug design: Chemical Drug Design Girish Kumar Gupta, Vinod Kumar, 2016-10-10 Chemical Drug Design provides a compact overview on recent advances in this rapidly developing field. With contributions on in silico drug design, natural product based compounds, as well as on ligand- and structure-based approaches, the authors present innovative methods and techniques for identifying and synthetically designing novel drugs. |
| chemical biology and drug design: Current Protocols in Chemical Biology Adam P. Arkin, 2009-09-22 |
| chemical biology and drug design: Cheminformatics and Its Applications Amalia Stefaniu, Azhar Rasul, Ghulam Hussain, 2020 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. |
| chemical biology and drug design: The Organic Chemistry of Drug Design and Drug Action Richard B. Silverman, 2012-12-02 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 |
| chemical biology and drug design: Diversity-Oriented Synthesis Andrea Trabocchi, 2013-06-17 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. |
| chemical biology and drug design: Structural Biology in Drug Discovery Jean-Paul Renaud, 2020-01-09 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 |
| chemical biology and drug design: Protein Degradation with New Chemical Modalities Hilmar Weinmann, Craig Crews, 2020-10-07 Targeting protein degradation using small molecules is one of the most exciting small-molecule therapeutic strategies in decades and a rapidly growing area of research. In particular, the development of proteolysis targeting chimera (PROTACs) as potential drugs capable of recruiting target proteins to the cellular quality control machinery for elimination has opened new avenues to address traditionally ‘difficult to target’ proteins. This book provides a comprehensive overview from the leading academic and industrial experts on recent developments, scope and limitations in this dynamically growing research area; an ideal reference work for researchers in drug discovery and chemical biology as well as advanced students. |
| chemical biology and drug design: Chemoinformatics and Computational Chemical Biology Jürgen Bajorath, 2010-09-22 Over the past years, the chem(o)informatics field has further evolved and new application areas have opened up, for example, in the broadly defined area of chemical biology. In Chemoinformatics and Computational Chemical Biology, leading investigators bring together a detailed series of reviews and methods including, among others, system-directed approaches using small molecules, the design of target-focused compound libraries, the study of molecular selectivity, and the systematic analysis of target-ligand interactions. Furthermore, the book delves into similarity methods, machine learning, probabilistic approaches, fragment-based methods, as well as topics that go beyond the current chemoinformatics spectrum, such as knowledge-based modeling of G protein-coupled receptor structures and computational design of siRNA libraries. As a volume in the highly successful Methods in Molecular BiologyTM series, this collection provides detailed descriptions and implementation advice that are exceedingly relevant for basic researchers and practitioners in this highly interdisciplinary research and development area. Cutting-edge and unambiguous, Chemoinformatics and Computational Chemical Biology serves as an ideal guide for experts and newcomers alike to this vital and dynamic field of study. |
| chemical biology and drug design: Biology Stephen Wolfe, Peter Russell, Paul Hertz, Cecie Starr, 2007 |
| chemical biology and drug design: Carbohydrate-based Drug Discovery, 2 Volume Set Chi-Huey Wong, 2003-10-17 Die Suche nach Medikamenten mit neuen oder verbesserten Eigenschaften hat das Interesse am pharmazeutischen Potenzial von Kohlenhydraten enorm verstärkt. Dies gilt insbesondere für die Entwicklung von Antibiotika, Impfstoffen und Anti-Krebs-Mitteln. Carbohydrate-based Drug Discovery stellt mit mehr als 50 Beiträgen der weltweit führenden Experten die neuesten Entwicklungen in der Kohlenhydrat- und Biochemie vor. Dabei liegt der Schwerpunkt der Darstellung auf der pharmazeutischen Anwendung. In jüngster Zeit sind wirksame, auf Kohlenhydraten basierende Medikamente gegen HIV, Grippe, Epilepsie, Diabetes und Krebs auf den Markt gekommen bzw. werden in Studien klinisch erprobt. Doch das gesamte Potenzial dieser Substanzklasse kann man bislang wohl nur erahnen. Die pharmazeutische Industrie investiert bereits große Summen in die Forschung und Entwicklung. So kommt dieses Handbuch genau zur richtigen Zeit. Umfassend und kompetent behandelt es den gesamten Bereich der Kohlenhydratchemie. Es führt ein in die chemische Synthese, in Biosynthese und Metabolismus und informiert über die Analyse und die zellulären Funktionen von Kohlenhydraten. Einen weiteren Schwerpunkt bildet die Entwicklung von Medikamenten auf Kohlenhydrat-Basis, wie z.B. synthetischer Impfstoffe oder Thrombosemittel auf Basis synthetischer Oligosaccharide. Erschlossen wird das mit einem umfangreichen bibliographischen Anhang versehene Werk durch einen thematischen Index. Sein Herausgeber, Chi-Huey Wong, hat bereits mehrere internationale Preise für sein wissenschaftliches Werk erhalten, darunter den Presidential Award und den Presidential Young Investigator Award. |
| chemical biology and drug design: Drug Design Kenneth M. Merz, Dagmar Ringe, Charles H. Reynolds, 2010-05-31 This book provides a complete snapshot of various experimental approaches to structure-based and ligand-based drug design and is illustrated with more than 200 images. |
| chemical biology and drug design: Biophysical and Computational Tools in Drug Discovery Anil Kumar Saxena, 2021-10-18 This book reviews recent physicochemical and biophysical techniques applied in drug discovery research, and it outlines the latest advances in computational drug design. Divided into 10 chapters, the book discusses about the role of structural biology in drug discovery, and offers useful application cases of several biophysical and computational methods, including time-resolved fluorometry (TRF) with Förster resonance energy transfer (FRET), X-Ray crystallography, nuclear magnetic resonance spectroscopy, mass spectroscopy, generative machine learning for inverse molecular design, quantum mechanics/molecular mechanics (QM/MM,ONIOM) and quantum molecular dynamics (QMT) methods. Particular attention is given to computational search techniques applied to peptide vaccines using novel mathematical descriptors and structure and ligand-based virtual screening techniques in drug discovery research. Given its scope, the book is a valuable resource for students, researchers and professionals from pharmaceutical industry interested in drug design and discovery. |
| chemical biology and drug design: Target Discovery and Validation Alleyn T. Plowright, 2020-02-18 The modern drug developers? guide for making informed choices among the diverse target identification methods Target Discovery and Validation: Methods and Strategies for Drug Discovery offers a hands-on review of the modern technologies for drug target identification and validation. With contributions from noted industry and academic experts, the book addresses the most recent chemical, biological, and computational methods. Additionally, the book highlights techologies that are applicable to ?difficult? targets and drugs directed at multiple targets, including chemoproteomics, activity-based protein profiling, pathway mapping, genome-wide association studies, and array-based profiling. Throughout, the authors highlight a range of diverse approaches, and target validation studies reveal how these methods can support academic and drug discovery scientists in their target discovery and validation research. This resource: -Offers a guide to identifying and validating targets, a key enabling technology without which no new drug development is possible -Presents the information needed for choosing the appropriate assay method from the ever-growing range of available options -Provides practical examples from recent drug development projects, e. g. in kinase inhibitor profiling Written for medicinal chemists, pharmaceutical professionals, biochemists, biotechnology professionals, and pharmaceutical chemists, Target Discovery and Validation explores the current methods for the identification and validation of drug targets in one comrpehensive volume. It also includes numerous practical examples. |
| chemical biology and drug design: Natural Products in Chemical Biology Natanya Civjan, 2012-07-03 Based on the award winning Wiley Encyclopedia of Chemical Biology, this book provides a general overview of the unique features of the small molecules referred to as natural products, explores how this traditionally organic chemistry-based field was transformed by insights from genetics and biochemistry, and highlights some promising future directions. The book begins by introducing natural products from different origins, moves on to presenting and discussing biosynthesis of various classes of natural products, and then looks at natural products as models and the possibilities of using them in medicine. |
| chemical biology and drug design: Carbohydrates in Drug Design and Discovery Jesus Jimenez-Barbero, F. Javier Canada, Sonsoles Martin-Santamaria, 2015-03-30 In recent years there has been increasing evidence of the importance of carbohydrates and glycoconjugates in biomedical applications, and the use of synthetic ligands based on carbohydrates as drugs has received much attention. Focussing on drug discovery from key targets and placing an emphasis on the multi-disciplinary approaches necessary to challenge these issues, this book comprehensively covers the new and recent discoveries in the area of carbohydrate drug discovery. Carbohydrates in Drug Design and Discovery is split into five sections, beginning with a introduction and perspective on the current market. The book then goes on to discuss new synthetic methods in glycobiology, the use of glycobiology in chemical biology and glycobiology in drug discovery. Providing a worldwide perspective on this broad area, and providing examples of therapeutics already developed using these methods, this book provides a comprehensive introduction, discussion and update on this fast developing field for medicinal chemists and biochemists working in industry and academia. |
| chemical biology and drug design: Kinase Drug Discovery Richard A. Ward, Frederick Goldberg, 2012 Kinase drug discovery remains an area of significant interest across academia and in the pharmaceutical industry. There are now around 13 FDA approved small molecule drugs which target kinases and many more compounds in various stages of clinical development. Although there have been a number of reviews/publications on kinase research, this book fills a gap in the literature by considering the current and future opportunities and challenges in targeting this important family of enzymes. The book is forward-looking and identifies a number of hot topics and key areas for kinase drug discovery over the coming years. It includes contributions from highly respected authors with a combined experience in the industry of well over 200 years, which has resulted in a book of great interest to the kinase field and across drug discovery more generally. Readers will gain a real insight into the huge challenges and opportunities which this target class has presented drug discovery scientists. The many chapters cover a wide breadth of topics, are well written and include high quality colour and black and white images. Topics covered include an outline of how medicinal chemistry has been able to specifically exploit this unique target class, along with reflections on the mechanisms of kinases inhibitors. Also covered is resistance to kinase inhibitors caused by amino acid mutations, case studies of kinase programs and reviews areas beyond protein kinases and beyond the human kinome. Also described are modern approaches to finding kinase leads and the book finishes with a reflection of how kinase drug discovery may progress over the coming years. |
| chemical biology and drug design: Chemical Proteomics Gerard Drewes, Marcus Bantscheff, 2011-11-08 The multidisciplinary science of chemical proteomics studies how small molecules of synthetic or natural origin bind to proteins and modulate their function. In Chemical Proteomics: Methods and Protocols, expert researchers in the field provide key techniques to investigate chemical proteomics focusing on analytical strategies, how probes are generated, techniques for the discovery of small molecule targets and the probing of target function, and small molecule ligand and drug discovery. Written in the highly successful Methods in Molecular BiologyTM series format, chapters include introductions to their respective topics, lists of the necessary materials and reagents, step-by-step, readily reproducible laboratory protocols, and key tips on troubleshooting and avoiding known pitfalls. Authoritative and practical, Chemical Proteomics : Methods and Protocols seeks to provide methodologies that will contribute to a wider application of chemical proteomics methods in biochemical and cell biological laboratories. |
| chemical biology and drug design: Artificial Intelligence in Drug Discovery Nathan Brown, 2020-11-04 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. |
| chemical biology and drug design: Fragment-Based Drug Discovery Steven Howard, Chris Abell, 2015-06-17 Fragment-based drug discovery is a rapidly evolving area of research, which has recently seen new applications in areas such as epigenetics, GPCRs and the identification of novel allosteric binding pockets. The first fragment-derived drug was recently approved for the treatment of melanoma. It is hoped that this approval is just the beginning of the many drugs yet to be discovered using this fascinating technique. This book is written from a Chemist's perspective and comprehensively assesses the impact of fragment-based drug discovery on a wide variety of areas of medicinal chemistry. It will prove to be an invaluable resource for medicinal chemists working in academia and industry, as well as anyone interested in novel drug discovery techniques. |
| chemical biology and drug design: Quantitative Structure-Activity Relationships in Drug Design, Predictive Toxicology, and Risk Assessment Roy, Kunal, 2015-02-28 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. |
| chemical biology and drug design: Chemoinformatics for Drug Discovery Jürgen Bajorath, 2013-09-25 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. |
| chemical biology and drug design: Computational and Structural Approaches to Drug Discovery Robert M. Stroud, Janet Finer-Moore, 2008 This insightful book represents the experience and understanding of the global experts in the field and spotlights both the structural and medicinal chemistry aspects of drug design. The need to 'encode' the physiological factors of pharmacology, a key area, is explored. |
| chemical biology and drug design: Burger's Medicinal Chemistry, Drug Discovery and Development, 8 Volume Set , 2021-04-20 Burger’s Medicinal Chemistry, Drug Discovery and Development Explore the freshly updated flagship reference for medicinal chemists and pharmaceutical professionals The newly revised eighth edition of the eight-volume Burger’s Medicinal Chemistry, Drug Discovery and Development is the latest installment in this celebrated series covering the entirety of the drug development and discovery process. With the addition of expert editors in each subject area, this eight-volume set adds 35 chapters to the extensive existing chapters. New additions include analyses of opioid addiction treatments, antibody and gene therapy for cancer, blood-brain barrier, HIV treatments, and industrial-academic collaboration structures. Along with the incorporation of practical material on drug hunting, the set features sections on drug discovery, drug development, cardiovascular diseases, metabolic diseases, immunology, cancer, anti-Infectives, and CNS disorders. The text continues the legacy of previous volumes in the series by providing recognized, renowned, authoritative, and comprehensive information in the area of drug discovery and development while adding cutting-edge new material on issues like the use of artificial intelligence in medicinal chemistry. Included: Volume 1: Methods in Drug Discovery, edited by Kent D. Stewart Volume 2: Discovering Lead Molecules, edited by Kent D. Stewart Volume 3: Drug Development, edited by Ramnarayan S. Randad and Michael Myers Volume 4: Cardiovascular, Endocrine, and Metabolic Diseases, edited by Scott D. Edmondson Volume 5: Pulmonary, Bone, Immunology, Vitamins, and Autocoid Therapeutic Agents, edited by Bryan H. Norman Volume 6: Cancer, edited by Barry Gold and Donna M. Huryn Volume 7: Anti-Infectives, edited by Roland E. Dolle Volume 8: CNS Disorders, edited by Richard A. Glennon Perfect for research departments in the pharmaceutical and biotechnology industries, Burger’s Medicinal Chemistry, Drug Discovery and Development can be used by graduate students seeking a one-stop reference for drug development and discovery and deserves its place in the libraries of biomedical research institutes, medical, pharmaceutical, and veterinary schools. |
| chemical biology and drug design: Small Molecule — Protein Interactions Herbert Waldmann, Marcus Koppitz, 2003-03-07 Based on the international workshop on 'Small Molecule - Protein Interactions' held in Berlin, April 24-26, 2002, researchers from industry and academic laboratories describe novel and efficient ways selecting promising new drug targets and developing small molecule inhibitors against them. The structure of the book corresponds to the different aspects of the drug discovery process. All chapters are written by leading experts in the field, who present and discuss the most recent state-of-the-art tools and techniques for the development of novel drugs. The value of the book lies in surveying and summarizing the approaches taken by different companies and institutions giving the reader a balanced view on the use of the latest techniques on the one hand and experience-based assistance in selecting appropriate tools for their own work on the other hand. |
| chemical biology and drug design: High Throughput Screening Methods Joshua A. Bittker, Nathan T. Ross, 2016-12-08 High throughput screening remains a key part of early stage drug and tool compound discovery, and methods and technologies have seen many fundamental improvements and innovations over the past 20 years. This comprehensive book provides a historical survey of the field up to the current state-of-the-art. In addition to the specific methods, this book also considers cultural and organizational questions that represent opportunities for future success. Following thought-provoking foreword and introduction from Professor Stuart Schreiber and the editors, chapters from leading experts across academia and industry cover initial considerations for screening, methods appropriate for different goals in small molecule discovery, newer technologies that provide alternative approaches to traditional miniaturization procedures, and practical aspects such as cost and resourcing. Within the context of their historical development, authors explain common pitfalls and their solutions. This book will serve as both a practical reference and a thoughtful guide to the philosophy underlying technological change in such a fast-moving area for postgraduates and researchers in academia and industry, particularly in the areas of chemical biology, pharmacology, structural biology and assay development. |
| chemical biology and drug design: Green Approaches in Medicinal Chemistry for Sustainable Drug Design Bimal Banik, 2020-03-27 Extensive experimentation and high failure rates are a well-recognised downside to the drug discovery process, with the resultant high levels of inefficiency and waste producing a negative environmental impact. Sustainable and Green Approaches in Medicinal Chemistry reveals how medicinal and green chemistry can work together to directly address this issue. After providing essential context to the growth of green chemistry in relation to drug discovery in Part 1, the book goes on to identify a broad range of practical methods and synthesis techniques in Part 2. Part 3 reveals how medicinal chemistry techniques can be used to improve efficiency, mitigate failure and increase the environmental benignity of the entire drug discovery process, whilst Parts 4 and 5 discuss natural products and microwave-induced chemistry. Finally, the role of computers in drug discovery is explored in Part 6. - Identifies novel and cost effective green medicinal chemistry approaches for improved efficiency and sustainability - Reflects on techniques for a broad range of compounds and materials - Highlights sustainable and green chemistry pathways for molecular synthesis |
| chemical biology and drug design: Peptide Drug Discovery and Development Miguel Castanho, Nuno Santos, 2011-10-24 Filling a real knowledge gap, this handbook and ready reference is both modern and forward-looking in its emphasis on the bench to bedside translational approach to drug development. Clearly structured into three major parts, the book stakes out the boundaries of peptide drug development in the preclinical as well as clinical stages. The first part provides a general background and focuses on the characteristic strengths and weaknesses of peptide drugs. The second section contains five cases studies of peptides from diverse therapeutic fields, and the lessons to be learned from them, while the final part looks at new targets and opportunities, discussing several drug targets and diseases for which peptide drugs are currently being developed. |
| chemical biology and drug design: Structure-Based Drug Design Pandi Veerapandian, 2018-03-29 Introducing the most recent advances in crystallography, nuclear magnetic resonance, molecular modeling techniques, and computational combinatorial chemistry, this unique, interdisciplinary reference explains the application of three-dimensional structural information in the design of pharmaceutical drugs. Furnishing authoritative analyses by world-renowned experts, Structure-Based Drug Design discusses protein structure-based design in optimizing HIV protease inhibitors and details the biochemical, genetic, and clinical data on HIV-1 reverse transcriptase presents recent results on the high-resolution three-dimensional structure of the catalytic core domain of HIV-1 integrase as a foundation for divergent combination therapy focuses on structure-based design strategies for uncovering receptor antagonists to treat inflammatory diseases demonstrates a systematic approach to the design of inhibitory compounds in cancer treatment reviews current knowledge on the Interleukin-1 (IL-1) system and progress in the development of IL-1 modulators describes the influence of structure-based methods in designing capsid-binding inhibitors for relief of the common cold and much more! |
| chemical biology and drug design: Drug Design and Discovery Seetharama D. Satyanarayanajois, 2011-02-16 Research in the pharmaceutical sciences and medicinal chemistry has taken an important new direction in the past two decades with a focus on large molecules, especially peptides and proteins, as well as DNA therapeutics. In Drug Design and Discovery: Methods and Protocols, leading experts provide an in-depth view of key protocols that are commonly used in drug discovery laboratories. Covering both classic and cutting-edge techniques, this volume explores computational docking, quantitative structure-activity relationship (QSAR), peptide synthesis, labeling of peptides and proteins with fluorescent labels, DNA-microarray, zebrafish model for drug screening, and other analytical screening and biological assays that are routinely used during the drug discovery process. Written in the highly successful Methods in Molecular BiologyTM series format, chapters include introductions to their respective topics, lists of the necessary materials, step-by-step, readily reproducible laboratory protocols, and tips on troubleshooting and avoiding known pitfalls. Thorough and accessible, Drug Design and Discovery: Methods and Protocols serve as a vital laboratory reference for pharmaceutical chemists, medicinal chemists, and pharmacologists as well as for molecular biologists. |
| chemical biology and drug design: Beyond the Molecular Frontier 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, 2003-03-19 Chemistry and chemical engineering have changed significantly in the last decade. They have broadened their scopeâ€into biology, nanotechnology, materials science, computation, and advanced methods of process systems engineering and controlâ€so much that the programs in most chemistry and chemical engineering departments now barely resemble the classical notion of chemistry. Beyond the Molecular Frontier brings together research, discovery, and invention across the entire spectrum of the chemical sciencesâ€from fundamental, molecular-level chemistry to large-scale chemical processing technology. This reflects the way the field has evolved, the synergy at universities between research and education in chemistry and chemical engineering, and the way chemists and chemical engineers work together in industry. The astonishing developments in science and engineering during the 20th century have made it possible to dream of new goals that might previously have been considered unthinkable. This book identifies the key opportunities and challenges for the chemical sciences, from basic research to societal needs and from terrorism defense to environmental protection, and it looks at the ways in which chemists and chemical engineers can work together to contribute to an improved future. |
| chemical biology and drug design: Chemical Biology Jonathan E. Hempel, Charles H. Williams, Charles C. Hong, 2015-01-24 This volume seeks to enable the discovery of tools in chemical biology by providing readers with various techniques ranging from initial chemical genetic screening to target identification. To successfully highlight the essential components of the chemical biology tool discovery process, the book is organizes into four parts that focus on platforms for molecular discovery in in vitro cellular systems, in vivo chemical genetic screening protocols, and methods used to discover functional protein targets. Written in the highly successful Methods of Molecular Biology series format, chapters include introductions to their respective topics, lists of the necessary materials and reagents, step-by-step readily reproducible laboratory protocols, and key tips on troubleshooting and avoiding known pitfalls. Practical and informative, Chemical Biology: Methods and Protocols seeks to improve the success rate of the chemical biology field through the dissemination of detailed and experiential knowledge. |
| chemical biology and drug design: Bioinformatics and Drug Discovery Richard S. Larson, 2012 Recent advances in drug discovery have been rapid. The second edition of Bioinformatics and Drug Discovery has been completely updated to include topics that range from new technologies in target identification, genomic analysis, cheminformatics, protein analysis, and network or pathway analysis. Each chapter provides an extended introduction that describes the theory and application of the technology. In the second part of each chapter, detailed procedures related to the use of these technologies and software have been incorporated. Written in the highly successful Methods in Molecular Biology series format, the chapters include the kind of detailed description and implementation advice that is crucial for getting optimal results in the laboratory. Thorough and intuitive, Bioinformatics and Drug Discovery, Second Edition seeks to aid scientists in the further study of the rapidly expanding field of drug discovery. |
| chemical biology and drug design: De novo Molecular Design Gisbert Schneider, 2013-10-10 Systematically examining current methods and strategies, this ready reference covers a wide range of molecular structures, from organic-chemical drugs to peptides, Proteins and nucleic acids, in line with emerging new drug classes derived from biomacromolecules. A leader in the field and one of the pioneers of this young discipline has assembled here the most prominent experts from across the world to provide first-hand knowledge. While most of their methods and examples come from the area of pharmaceutical discovery and development, the approaches are equally applicable for chemical probes and diagnostics, pesticides, and any other molecule designed to interact with a biological system. Numerous images and screenshots illustrate the many examples and method descriptions. With its broad and balanced coverage, this will be the firststop resource not only for medicinal chemists, biochemists and biotechnologists, but equally for bioinformaticians and molecular designers for many years to come. From the content: * Reaction-driven de novo design * Adaptive methods in molecular design * Design of ligands against multitarget profiles * Free energy methods in ligand design * Fragment-based de novo design * Automated design of focused and target family-oriented compound libraries * Molecular de novo design by nature-inspired computing * 3D QSAR approaches to de novo drug design * Bioisosteres in de novo design * De novo design of peptides, proteins and nucleic acid structures, including RNA aptamers and many more. |
EDITOR-IN-CHIEF ROBERTA MELANDER CHEMICAL BIOLOGY …
It is the aim of Chemical Biology & Drug Designto capture significant research and drug discovery that highlights new concepts, insight and new f indings within the scope of chemical biology …
Textbook of Drug Design and Discovery - api.pageplace.de
The first part of the book covers general aspects, methods, and principles within drug design and discovery and the second part exemplify important and recent medicinal chemistry …
CHEMICAL BIOLOGY & DRUG DESIGN
CHEMICAL BIOLOGY & DRUG DESIGN Editor-in-Chief – Tomi K Sawyer Welcome to Chemical Biology & Drug Design, a premier journal dedicated to the advancement of innovative science, …
The Process of Structure-Based Drug Design - Cell Press
This review summarizes the process of structure-based drug design and includes, primarily, the choice of a target, the evaluation of a structure of that target, the pivotal questions to consider …
The chemistry of drug design and development
Through comprehensive analysis and case studies, this paper underscores the significance of chemistry in advancing drug development and addressing unmet medical needs. The realm of …
Topic7-2.ppt - University of Wisconsin–Eau Claire
Drug design and development Stages: Identify target disease 2) Identify drug target 3) Establish testing procedures
CHEMICAL BIOLOGY & DRUG DESIGN - Wiley Online Library
It is the aim of Chemical Biology & Drug Design to capture significant research and drug discovery that highlights new concepts, insight and new findings within the scope of chemical biology …
Chemical Biology: What is Its Role in Drug Discovery?
A new chemical biology based approach, known as chemical epigenetics, involves the use of small molecule inhibitors of HDACs and DNA methyltransferases to activate selectively gene …
Wiley_Chemical Biology & Drug Design_.pdf
technology and medicine with a focus on the multidisciplinary fields of chemical biology and drug design. It is the aim of Chemical Biology & Drug Design to capture significant research and …
Role of computer-aided drug design in modern drug discovery
Drug discovery utilizes chemical biology and computational drug design approaches for the efficient identification and optimization of lead compounds. Chemical biology is mostly involved …
Introduction to Drug Design and Discovery - Philadelphia …
Outline the entire process involved in the drug discovery and drug design. Describe molecular modelling techniques in drug design. Describe the ligand-based drug design and the structure- …
Chemical Biology and Drug Design: Introduction to the new …
Chemical Biology & Drug Design is dedicated to the advancement of innovative science, technology, and med-icine with a focus on the multidisciplinary fields of chem-ical biology and …
PROTACs: An Emerging Therapeutic Modality in Precision …
In this review, we first highlight the key advantages of PROTACs and then discuss the spatiotemporal regulation of protein degradation. Next, we explore current chemically tractable …
EDITOR-IN-CHIEF DAVID SELWOOD, UK CHEMICAL BIOLOGY …
It is the aim of Chemical Biology & Drug Designto capture significant research and drug discovery that highlights new concepts, insight and new findings within the scope of chemical biology …
Chemical Biology - University of Illinois Urbana-Champaign
Development of advanced imaging agents to study the chemical biology of neurological disorders and cancer; synthesis of activity-based sensing probes to discover new mechanisms of …
Computational Approaches for Drug Design and Discovery: …
The objective of drug design is to find a chemical compound that can fit to a specific cavity on a protein target both geometrically and chemically. After passing the animal tests and human …
Chemical language models for de novo drug design
models which generate new molecules in the form of strin anguage models are expected to become increasingly relevant in drug discovery. This minireview provides an overview of the …
Textbook of Drug Design and Discovery - bcrti.co.in
The textbook covers a broad range of aspects related to the early drug design and discovery process, presented in an up-to-date review form, with an underlying and fundamental focus on …
Chemical Biology: From Small Molecules to Systems Biology …
exciting new branch of chemistry and biology. probes for biological mechanisms and expanding the scope of chemical synthesis. Further sections cover chemical informatics, drug. discovery …
Principles of Drug Discovery, Design, and Development: …
Medicinal Chemistry: Introductory aspects, general background, objectives, common terminologies, and various stages in drug discovery/development; Drug targets, target …
EDITOR-IN-CHIEF DAVID SELWOOD, UK CHEMICAL BIOLOGY …
It is the aim of Chemical Biology & Drug Designto capture significant research and drug discovery that highlights new concepts, insight and new findings within the scope of chemical biology …
Chemical Biology and Drug Design: Introduction to the new …
Receptor agonist/antagonist, protease substrate/inhib-itor, and signal transduction modulator chemical biol-ogy and drug design. Small- molecule diversity and synthetic methods im-portant …
CHEMICAL BIOLOGY & DRUG DESIGN - Wiley Online Library
It is the aim of Chemical Biology & Drug Design to capture significant research and drug discovery that highlights new concepts, insight and new findings within the scope of chemical biology …
EDITOR-IN-CHIEF ROBERTA MELANDER CHEMICAL BIOLOGY …
• Protein, peptide, peptidomimetic, nucleic acid, lipids, carbohydrate and natural product chemical biology and drug design • Receptor agonist/antagonist, protease substrate/inhibitor, and signal …
The Chemical Biology‐Medicinal Chemistry Continuum: …
This article discusses chemical biology as currently understood by EFMC, including all activities dealing with the design and synthesis of biologically active chemical tools and their use to …
Extraction and deproteinization process of polysaccharide …
Chem Biol Drug Des. 2022;99:111–117. At present, a large number of studies on the extraction of pigment from purple sweet potato have been carried out at home and abroad (Cai et al., 2018; …
NMC- 4 Ameliorates Depression- Like Behavior and …
Pa, Ia, Na, Ma, and Wa denote the purity of NMC- 4, the in-tegral value of a chemical shift, the number of protons in the signal, the molar mass of NMC- 4, and the weighing mass of NMC- 4, …
Fluorine in Medicinal Chemistry and Chemical Biology
Introduction: Basic Aspects of Fluorine in Chemistry and Biology 1 Unique Properties of Fluorine and Their Relevance to Medicinal Chemistry and Chemical Biology Takashi Yamazaki, Takeo …
Computational methods and tools to predict cytochrome …
Understanding the specificity of individual CYP isoforms to bind small molecules can assist in the prediction of meta-bolic stability, enzyme inhibition, and drug–drug interactions.
MEDICINAL CHEMICAL BIOLOGY - Wiley Online Library
Figure 1b highlights the existing and future opportunities for medicinal chemical biology in a traditional drug discovery paradigm. From target selection to clinical biomarker development, …
