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A Practical Guide to Rational Drug Design

A Practical Guide to Rational Drug Design Author Sun Hongmao
ISBN-10 9780081001059
Release 2015-10-05
Pages 292
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This book is not going to be an exhaustive survey covering all aspects of rational drug design. Instead, it is going to provide critical know-how through real-world examples. Relevant case studies will be presented and analyzed to illustrate the following: how to optimize a lead compound whether one has high or low levels of structural information; how to derive hits from competitors’ active compounds or from natural ligands of the targets; how to springboard from competitors’ SAR knowledge in lead optimization; how to design a ligand to interfere with protein-protein interactions by correctly examining the PPI interface; how to circumvent IP blockage using data mining; how to construct and fully utilize a knowledge-based molecular descriptor system; how to build a reliable QSAR model by focusing on data quality and proper selection of molecular descriptors and statistical approaches. A Practical Guide to Rational Drug Design focuses on computational drug design, with only basic coverage of biology and chemistry issues, such as assay design, target validation and synthetic routes. Discusses various tactics applicable to daily drug design Readers can download the materials used in the book, including structures, scripts, raw data, protocols, and codes, making this book suitable resource for short courses or workshops Offers a unique viewpoint on drug discovery research due to the author’s cross-discipline education background Explores the author’s rich experiences in both pharmaceutical and academic settings



Transporters in Drug Discovery and Development

Transporters in Drug Discovery and Development Author Yurong Lai
ISBN-10 9781908818287
Release 2014-08-22
Pages 780
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Written by a leading researcher in the field, Transporters in Drug Discovery and Development provides a comprehensive and practical guide to drug transporter families that are the most important for drug discovery and development. It covers: an overview of transporter families and organ distribution; clinical relevant drug-drug interaction; clinical relevant polymorphism; drug transporter related pharmacokinetic, pharmacodynamics and toxicity; in vitro/in vivo probes of drug transport studies; the practical methodologies of industrial transporter screening and translational aspect in drug discovery and developments. A comprehensive overview of drug transporter families and their clinical relevance in drug discovery and development Balanced coverage of molecular biology aspects and functional outcomes State of art knowledge related to transporter-mediated DDI and the clinical relevance in pharmacokinetics, dynamics, and toxicity



A Practical Guide To Cancer Systems Biology

A Practical Guide To Cancer Systems Biology Author Juan Hsueh-fen
ISBN-10 9789813229167
Release 2017-11-29
Pages 152
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Systems biology combines computational and experimental approaches to analyze complex biological systems and focuses on understanding functional activities from a systems-wide perspective. It provides an iterative process of experimental measurements, data analysis, and computational simulation to model biological behavior. This book provides explained protocols for high-throughput experiments and computational analysis procedures central to cancer systems biology research and education. Readers will learn how to generate and analyze high-throughput data, therapeutic target protein structure modeling and docking simulation for drug discovery. This is the first practical guide for students and scientists who wish to become systems biologists or utilize the approach for cancer research. Contents: Introduction to Cancer Systems Biology (Hsueh-Fen Juan and Hsuan-Cheng Huang)Transcriptome Analysis: Library Construction (Hsin-Yi Chang and Hsueh-Fen Juan)Quantitative Proteome: The Isobaric Tags for Relative and Absolute Quantitation (iTRAQ) (Yi-Hsuan Wu and Hsueh-Fen Juan)Phosphoproteome: Sample Preparation (Chia-Wei Hu and Hsueh-Fen Juan)Transcriptomic Data Analysis: RNA-Seq Analysis Using Galaxy (Chia-Lang Hsu and Chantal Hoi Yin Cheung)Proteomic Data Analysis: Functional Enrichment (Hsin-Yi Chang and Hsueh-Fen Juan)Phosphorylation Data Analysis (Chia-Lang Hsu and Wei-Hsuan Wang)Pathway and Network Analysis (Chen-Tsung Huang and Hsueh-Fen Juan)Dynamic Modeling (Yu-Chao Wang)Protein Structure Modeling (Chia-Hsien Lee and Hsueh-Fen Juan)Docking Simulation (Chia-Hsien Lee and Hsueh-Fen Juan) Readership: Graduate students and researchers entering the cancer systems biology field. Keywords: Systems Biology;Transcriptomics;Proteomics;Network Biology;Dynamic Modeling;Protein Structure Modeling;Docking Simulation;BioinformaticsReview: Key Features: Written by two active researchers in the fieldCovers both experimental and computational areas in cancer systems biologyStep-by-step instructions help beginners who are interested in creating biological data and analyzing the data by themselvesReaders will gain the skills to generate and analyze omics data and discover potential therapeutic targets and drug candidates



Computational Chemistry

Computational Chemistry Author David Young
ISBN-10 9780471458432
Release 2004-04-07
Pages 408
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A practical, easily accessible guide for bench-top chemists, this book focuses on accurately applying computational chemistry techniques to everyday chemistry problems. Provides nonmathematical explanations of advanced topics in computational chemistry. Focuses on when and how to apply different computational techniques. Addresses computational chemistry connections to biochemical systems and polymers. Provides a prioritized list of methods for attacking difficult computational chemistry problems, and compares advantages and disadvantages of various approximation techniques. Describes how the choice of methods of software affects requirements for computer memory and processing time.



The Search for Rational Drug Control

The Search for Rational Drug Control Author Franklin E. Zimring
ISBN-10 0521558824
Release 1995-08-25
Pages 240
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This book presents a comprehensive examination of the drug control policy process in the United States. How are policy choices identified, debated and selected? How are the consequences of governmental policy measured and evaluated? How, if at all, do we learn from our mistakes? Zimring and Hawkins present different ways of understanding American drug policy and provide a foundation for an improved policy process. They argue that protection of children and youth should shape policy toward illicit crime, with attention to the fact that youth protection objectives may limit the effectiveness of some drug controls.



A Practical Guide to Scientific Data Analysis

A Practical Guide to Scientific Data Analysis Author David J. Livingstone
ISBN-10 9780470684818
Release 2009-12-10
Pages 358
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Inspired by the author's need for practical guidance in the processes of data analysis, A Practical Guide to Scientific Data Analysis has been written as a statistical companion for the working scientist. This handbook of data analysis with worked examples focuses on the application of mathematical and statistical techniques and the interpretation of their results. Covering the most common statistical methods for examining and exploring relationships in data, the text includes extensive examples from a variety of scientific disciplines. The chapters are organised logically, from planning an experiment, through examining and displaying the data, to constructing quantitative models. Each chapter is intended to stand alone so that casual users can refer to the section that is most appropriate to their problem. Written by a highly qualified and internationally respected author this text: Presents statistics for the non-statistician Explains a variety of methods to extract information from data Describes the application of statistical methods to the design of “performance chemicals” Emphasises the application of statistical techniques and the interpretation of their results Of practical use to chemists, biochemists, pharmacists, biologists and researchers from many other scientific disciplines in both industry and academia.



Chemical and Structural Approaches to Rational Drug Design

Chemical and Structural Approaches to Rational Drug Design Author David B. Weiner
ISBN-10 0849378184
Release 1994-11-28
Pages 288
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This book is the first to provide both a broad overview of the current methodologies being applied to drug design and in-depth analyses of progress in specific fields. It details state-of-the-art approaches to pharmaceutical development currently used by some of the world's foremost laboratories. The book features contributors from a variety of fields, new techniques, previously unpublished data, and extensive reference lists.



A Practical Guide to Combinatorial Chemistry

A Practical Guide to Combinatorial Chemistry Author Anthony W. Czarnik
ISBN-10 STANFORD:36105020180001
Release 1997-01-01
Pages 450
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Combinatorial chemistry is the ability to simultaneously synthesize vast numbers of diverse compounds. Its techniques have revolutionized the drug discovery process, and are widely used throughout the biotechnology community. Aimed at a wide audience, this text is a down-to-earth introductionto small molecule combinatorial chemistry. It uses a tutorial approach to provide a detailed survey of solid-phase peptide synthesis and solution-phase synthesis. It also reviews current automated approaches and equipment for both solid- and solution-phase library synthesis.



Predicting Chemical Toxicity and Fate

Predicting Chemical Toxicity and Fate Author Mark T.D. Cronin
ISBN-10 0203642627
Release 2004-05-10
Pages 472
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Quantitative Structure-Activity Relationships (QSARs) are increasingly used to predict the harmful effects of chemicals to humans and the environment. The increased use of these methods in a variety of areas (academic, industrial, regulatory) results from a realization that very little toxicological or fate data is available on the vast amount of chemicals to which humans and the environment are exposed. Predicting Chemical Toxicity and Fate provides a comprehensive explanation of the state-of-the-art methods that are available to predict the effects of chemicals on humans and the environment. It describes the use of predictive methods to estimate the physiochemical properties, biological activities, and fate of chemicals. The methods described may be used to predict the properties of drugs before their development, and to predict the environmental effects of chemicals. These methods also reduce the cost of product development and the need for animal testing. This book fills an obvious need by providing a comprehensive explanation of these prediction methods. It is a practical book that illustrates the use of these techniques in real life scenarios. This book will demystify QSARs for those students unsure of them, and professionals in environmental toxicology and chemistry will find this a useful reference in their everyday working lives.



Rational Drug Design

Rational Drug Design Author Abby L. Parrill
ISBN-10 UOM:39015042766082
Release 1999-01-01
Pages 374
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This book is an overview of current progress in drug design, applications of drug design, and new methodologies. It focuses on energetics of drug interactions with solvents and biomolecules, applications of traditional drug design methods, and related evolutionary algorithms. The volume concludes with a survey of recent successes and failures and describes outlooks for the future.



Receptor Based Drug Design

Receptor   Based Drug Design Author Paul Leff
ISBN-10 1420001132
Release 1998-04-10
Pages 400
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Employing a wide range of examples from G-protein-coupled receptors and ligand-gated ion channels, this detailed, single-source reference illustrates the principles of pharmacological analysis and receptor classification that are the basis of rational drug design. Explains the experimental and theoretical methods used to characterize interactions between ligands and receptors-providing the pharmacological information needed to solve treatment problems and facilitate the drug design process! Demonstrating the achievements of the receptor-based approach in therapeutics and indicating future directions, Receptor-Based Drug Design introduces novel computer-assisted strategies for the design of new agonists, antagonists, and inverse agonists for G-protein-coupled receptors shows how to assess agonist concentration-effect curve data discusses radioligand binding assays presents new in vitro multiarray assays for G-protein-coupled receptors explains the use of individual second messenger signaling responses in analyzing drug-receptor interactions examines the role of electrophysiology in finding new drugs and drug targets describes selectively acting b-adrenoceptor agonists and glucocorticoid steroids for asthma treatment outlines the rationale for using angiotensin receptor antagonists and more! Written by over 25 international authorities and containing nearly 1200 bibliographic citations, Receptor-Based Drug Design is a practical resource for pharmacologists, pharmacists, and pharmaceutical scientists; organic and medicinal chemists and biochemists; molecular biologists; biomedical researchers; and upper-level undergraduate and graduate students in these disciplines.



Phase I Cancer Clinical Trials

Phase I Cancer Clinical Trials Author Elizabeth A. Eisenhauer
ISBN-10 9780199359035
Release 2015-03-20
Pages 352
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Phase I trials are a critical first step in the study of novel cancer therapeutic approaches. Their primary goals are to identify the recommended dose, schedule and pharmacologic behavior of new agents or new combinations of agents and to describe the adverse effects of treatment. In cancer therapeutics, such studies have particular challenges. Due to the nature of the effects of treatment, most such studies are conducted in patients with advanced malignancy, rather than in healthy volunteers. Further, the endpoints of these trials are usually measures adverse effects rather than molecular target or anti-tumor effects. These factors render the design, conduct, analysis and ethical aspects of phase I cancer trials unique. As the only comprehensive book on this topic, Phase I Cancer Clinical Trials is a useful resource for oncology trainees or specialists interested in understanding cancer drug development. New to this edition are chapters on Phase 0 Trials and Immunotherapeutics, and updated information on the process, pitfalls, and logistics of Phase I Trials



Drug Discovery in Cancer Epigenetics

Drug Discovery in Cancer Epigenetics Author Gerda Egger
ISBN-10 9780128024928
Release 2015-11-19
Pages 498
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Drug Discovery in Cancer Epigenetics is a practical resource for scientists involved in the discovery, testing, and development of epigenetic cancer drugs. Epigenetic modifications can have significant implications for translational science as biomarkers for diagnosis, prognosis or therapy prediction. Most importantly, epigenetic modifications are reversible and epigenetic players are found mutated in different cancers; therefore, they provide attractive therapeutic targets. There has been great interest in developing and testing epigenetic drugs, which inhibit DNA methyltransferases, histone modifying enzymes or chromatin reader proteins. The first few drugs are already FDA approved and have made their way into clinical settings. This book provides a comprehensive summary of the epigenetic drugs currently available and aims to increase awareness in this area to foster more rapid translation of epigenetic drugs into the clinic. Highlights the potential of epigenetic alterations in cancer for drug development Covers the tools and methods for epigenetic drug discovery, preclinical and clinical testing, and clinical implications of epigenetic therapy Provides important information regarding putative epigenetic targets, epigenetic technologies, networks and consortia for epigenetic drug discovery and routes for translation



Rational Drug Design

Rational Drug Design Author Abby L. Parrill
ISBN-10 UOM:39015042766082
Release 1999-01-01
Pages 374
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This book is an overview of current progress in drug design, applications of drug design, and new methodologies. It focuses on energetics of drug interactions with solvents and biomolecules, applications of traditional drug design methods, and related evolutionary algorithms. The volume concludes with a survey of recent successes and failures and describes outlooks for the future.



Development of Innovative Drugs via Modeling with MATLAB

Development of Innovative Drugs via Modeling with MATLAB Author Ronald Gieschke
ISBN-10 9783642397653
Release 2013-11-27
Pages 399
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The development of innovative drugs is becoming more difficult while relying on empirical approaches. This inspired all major pharmaceutical companies to pursue alternative model-based paradigms. The key question is: How to find innovative compounds and, subsequently, appropriate dosage regimens? Written from the industry perspective and based on many years of experience, this book offers: - Concepts for creation of drug-disease models, introduced and supplemented with extensive MATLAB programs - Guidance for exploration and modification of these programs to enhance the understanding of key principles - Usage of differential equations to pharmacokinetic, pharmacodynamic and (patho-) physiologic problems thereby acknowledging their dynamic nature - A range of topics from single exponential decay to adaptive dosing, from single subject exploration to clinical trial simulation, and from empirical to mechanistic disease modeling. Students with an undergraduate mathematical background or equivalent education, interest in life sciences and skills in a high-level programming language such as MATLAB, are encouraged to engage in model-based pharmaceutical research and development.



New perspectives in drug design

New perspectives in drug design Author Georges Jollès
ISBN-10 012208070X
Release 1995
Pages 321
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New perspectives in drug design has been writing in one form or another for most of life. You can find so many inspiration from New perspectives in drug design also informative, and entertaining. Click DOWNLOAD or Read Online button to get full New perspectives in drug design book for free.



The Laboratory Computer

The Laboratory Computer Author John Dempster
ISBN-10 0122095510
Release 2001
Pages 354
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The Laboratory Computer: A Practical Guide for Physiologists and Neuroscientists introduces the reader to both the basic principles and the actual practice of recording physiological signals using the computer. It describes the basic operation of the computer, the types of transducers used to measure physical quantities such as temperature and pressure, how these signals are amplified and converted into digital form, and the mathematical analysis techniques that can then be applied. It is aimed at the physiologist or neuroscientist using modern computer data acquisition systems in the laboratory, providing both an understanding of how such systems work and a guide to their purchase and implementation. Written by an expert in the field, the book presents: · The key facts and concepts that are vital for the effective use of computer data acquisition systems; · A unique overview of the commonly available laboratory hardware and software, including both commercial and free software; · A practical guide to designing one's own or choosing commercial data acquisition hardware and software.