Drug Design

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Textbook of Drug Design and Discovery, Third Edition

Author : Tommy Liljefors
Publisher : CRC Press
ISBN 13 : 9780415282888
Total Pages : 596 pages
Book Rating : 4.2/5 (828 download)

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Book Synopsis Textbook of Drug Design and Discovery, Third Edition by : Tommy Liljefors

Download or read book Textbook of Drug Design and Discovery, Third Edition written by Tommy Liljefors and published by CRC Press. This book was released on 2002-07-25 with total page 596 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Drug Design

Author : Kenneth M. Merz
Publisher : Cambridge University Press
ISBN 13 : 0521887232
Total Pages : 289 pages
Book Rating : 4.5/5 (218 download)

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Book Synopsis Drug Design by : Kenneth M. Merz

Download or read book Drug Design written by Kenneth M. Merz and published by Cambridge University Press. This book was released on 2010-05-31 with total page 289 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Computational Drug Design

Author : D. C. Young
Publisher : John Wiley & Sons
ISBN 13 : 9780470451847
Total Pages : 344 pages
Book Rating : 4.4/5 (518 download)

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Book Synopsis Computational Drug Design by : D. C. Young

Download or read book Computational Drug Design written by D. C. Young and published by John Wiley & Sons. This book was released on 2009-01-28 with total page 344 pages. Available in PDF, EPUB and Kindle. Book excerpt: Helps you choose the right computational tools and techniques to meet your drug design goals Computational Drug Design covers all of the major computational drug design techniques in use today, focusing on the process that pharmaceutical chemists employ to design a new drug molecule. The discussions of which computational tools to use and when and how to use them are all based on typical pharmaceutical industry drug design processes. Following an introduction, the book is divided into three parts: Part One, The Drug Design Process, sets forth a variety of design processes suitable for a number of different drug development scenarios and drug targets. The author demonstrates how computational techniques are typically used during the design process, helping readers choose the best computational tools to meet their goals. Part Two, Computational Tools and Techniques, offers a series of chapters, each one dedicated to a single computational technique. Readers discover the strengths and weaknesses of each technique. Moreover, the book tabulates comparative accuracy studies, giving readers an unbiased comparison of all the available techniques. Part Three, Related Topics, addresses new, emerging, and complementary technologies, including bioinformatics, simulations at the cellular and organ level, synthesis route prediction, proteomics, and prodrug approaches. The book's accompanying CD-ROM, a special feature, offers graphics of the molecular structures and dynamic reactions discussed in the book as well as demos from computational drug design software companies. Computational Drug Design is ideal for both students and professionals in drug design, helping them choose and take full advantage of the best computational tools available. Note: CD-ROM/DVD and other supplementary materials are not included as part of eBook file.

Computer-Aided Drug Design

Author : Dev Bukhsh Singh
Publisher : Springer Nature
ISBN 13 : 9811568154
Total Pages : 308 pages
Book Rating : 4.8/5 (115 download)

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Book Synopsis Computer-Aided Drug Design by : Dev Bukhsh Singh

Download or read book Computer-Aided Drug Design written by Dev Bukhsh Singh and published by Springer Nature. This book was released on 2020-10-09 with total page 308 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book provides up-to-date information on bioinformatics tools for the discovery and development of new drug molecules. It discusses a range of computational applications, including three-dimensional modeling of protein structures, protein-ligand docking, and molecular dynamics simulation of protein-ligand complexes for identifying desirable drug candidates. It also explores computational approaches for identifying potential drug targets and for pharmacophore modeling. Moreover, it presents structure- and ligand-based drug design tools to optimize known drugs and guide the design of new molecules. The book also describes methods for identifying small-molecule binding pockets in proteins, and summarizes the databases used to explore the essential properties of drugs, drug-like small molecules and their targets. In addition, the book highlights various tools to predict the absorption, distribution, metabolism, excretion (ADME) and toxicity (T) of potential drug candidates. Lastly, it reviews in silico tools that can facilitate vaccine design and discusses their limitations.

A Practical Guide to Rational Drug Design

Author : Sun Hongmao
Publisher : Woodhead Publishing
ISBN 13 : 0081001053
Total Pages : 292 pages
Book Rating : 4.0/5 (81 download)

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Book Synopsis A Practical Guide to Rational Drug Design by : Sun Hongmao

Download or read book A Practical Guide to Rational Drug Design written by Sun Hongmao and published by Woodhead Publishing. This book was released on 2015-10-05 with total page 292 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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

The Organic Chemistry of Drug Design and Drug Action

Author : Richard B. Silverman
Publisher : Elsevier
ISBN 13 : 0080513379
Total Pages : 617 pages
Book Rating : 4.0/5 (85 download)

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Book Synopsis The Organic Chemistry of Drug Design and Drug Action by : Richard B. Silverman

Download or read book The Organic Chemistry of Drug Design and Drug Action written by Richard B. Silverman and published by Elsevier. This book was released on 2012-12-02 with total page 617 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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

Artificial Neural Network for Drug Design, Delivery and Disposition

Author : Munish Puri
Publisher : Academic Press
ISBN 13 : 0128017449
Total Pages : 440 pages
Book Rating : 4.1/5 (28 download)

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Book Synopsis Artificial Neural Network for Drug Design, Delivery and Disposition by : Munish Puri

Download or read book Artificial Neural Network for Drug Design, Delivery and Disposition written by Munish Puri and published by Academic Press. This book was released on 2015-10-15 with total page 440 pages. Available in PDF, EPUB and Kindle. Book excerpt: Artificial Neural Network for Drug Design, Delivery and Disposition provides an in-depth look at the use of artificial neural networks (ANN) in pharmaceutical research. With its ability to learn and self-correct in a highly complex environment, this predictive tool has tremendous potential to help researchers more effectively design, develop, and deliver successful drugs. This book illustrates how to use ANN methodologies and models with the intent to treat diseases like breast cancer, cardiac disease, and more. It contains the latest cutting-edge research, an analysis of the benefits of ANN, and relevant industry examples. As such, this book is an essential resource for academic and industry researchers across the pharmaceutical and biomedical sciences. Written by leading academic and industry scientists who have contributed significantly to the field and are at the forefront of artificial neural network (ANN) research Focuses on ANN in drug design, discovery and delivery, as well as adopted methodologies and their applications to the treatment of various diseases and disorders Chapters cover important topics across the pharmaceutical process, such as ANN in structure-based drug design and the application of ANN in modern drug discovery Presents the future potential of ANN-based strategies in biomedical image analysis and much more

Cancer Drug Design and Discovery

Author : Stephen Neidle
Publisher : Elsevier
ISBN 13 : 9780080554952
Total Pages : 496 pages
Book Rating : 4.5/5 (549 download)

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Book Synopsis Cancer Drug Design and Discovery by : Stephen Neidle

Download or read book Cancer Drug Design and Discovery written by Stephen Neidle and published by Elsevier. This book was released on 2011-04-28 with total page 496 pages. Available in PDF, EPUB and Kindle. Book excerpt: The ultimate source of information on the design of new anticancer agents, emphasizing small molecules, this newest work covers recent notable successes resulting from the human genome and cancer genomics projects. These advances have provided information on targets involved in specific cancers that are leading to effective medicines for at least some of the common solid tumors. Unique sections explain the basic underlying principles of cancer drug development and provide a practical introduction to modern methods of drug design. Appealing to a broad audience, this is an excellent reference for translational researchers interested in cancer biology and medicine as well as students in pharmacy, pharmacology, or medicinal and biological chemistry and clinicians taking oncology options. * Covers both currently available drugs as well as those under development * Provides a clinical perspective on trials of new anticancer agents * Presents drug discovery examples through the use of case histories

Molecular Docking for Computer-Aided Drug Design

Author : Mohane S. Coumar
Publisher : Academic Press
ISBN 13 : 0128223138
Total Pages : 522 pages
Book Rating : 4.1/5 (282 download)

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Book Synopsis Molecular Docking for Computer-Aided Drug Design by : Mohane S. Coumar

Download or read book Molecular Docking for Computer-Aided Drug Design written by Mohane S. Coumar and published by Academic Press. This book was released on 2021-02-17 with total page 522 pages. Available in PDF, EPUB and Kindle. Book excerpt: Molecular Docking for Computer-Aided Drug Design: Fundamentals, Techniques, Resources and Applications offers in-depth coverage on the use of molecular docking for drug design. The book is divided into three main sections that cover basic techniques, tools, web servers and applications. It is an essential reference for students and researchers involved in drug design and discovery. Covers the latest information and state-of-the-art trends in structure-based drug design methodologies Includes case studies that complement learning Consolidates fundamental concepts and current practice of molecular docking into one convenient resource

Biopharmaceutical Drug Design and Development

Author : Susanna Wu-Pong
Publisher : Springer Science & Business Media
ISBN 13 : 1597455326
Total Pages : 374 pages
Book Rating : 4.5/5 (974 download)

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Book Synopsis Biopharmaceutical Drug Design and Development by : Susanna Wu-Pong

Download or read book Biopharmaceutical Drug Design and Development written by Susanna Wu-Pong and published by Springer Science & Business Media. This book was released on 2010-01-11 with total page 374 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book provides a comprehensive examination of the newest biopharmaceutical drugs. Among the drugs discussed are ones in the categories of monoclonal antibodies for in-vivo use, cytokines, growth factors, enzymes, immunomodulators, thrombolytics, and immonotherapies including vaccines. Additionally, the volume examines new and emerging technologies, and contains a review of the Human Genome Project.

Drug Design and Discovery

Author : Seetharama D. Satyanarayanajois
Publisher : Humana Press
ISBN 13 : 9781617790119
Total Pages : 0 pages
Book Rating : 4.7/5 (91 download)

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Book Synopsis Drug Design and Discovery by : Seetharama D. Satyanarayanajois

Download or read book Drug Design and Discovery written by Seetharama D. Satyanarayanajois and published by Humana Press. This book was released on 2011-02-16 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Computational Drug Discovery and Design

Author : Mohini Gore
Publisher : Springer Nature
ISBN 13 : 1071634410
Total Pages : 357 pages
Book Rating : 4.0/5 (716 download)

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Book Synopsis Computational Drug Discovery and Design by : Mohini Gore

Download or read book Computational Drug Discovery and Design written by Mohini Gore and published by Springer Nature. This book was released on 2023-10-09 with total page 357 pages. Available in PDF, EPUB and Kindle. Book excerpt: This second edition provides new and updated methods and techniques for identification of drug target, binding sites prediction, high- throughput virtual screening, lead discovery and optimization, conformational sampling, prediction of pharmacokinetic properties using computer-based methodologies. Chapters also focus on the application of the latest artificial intelligence technologies for computer aided drug discovery. Written in the format of the highly successful Methods in Molecular Biology series, each chapter includes an introduction to the topic, lists necessary methods, includes tips on troubleshooting and known pitfalls, and step-by-step, readily reproducible protocols. Authoritative and cutting-edge, Computational Drug Discovery and Design, Second Edition aims to effectively utilize computational methodologies in discovery and design of novel drugs.

Drug-like Properties: Concepts, Structure Design and Methods

Author : Li Di
Publisher : Elsevier
ISBN 13 : 0080557619
Total Pages : 549 pages
Book Rating : 4.0/5 (85 download)

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Book Synopsis Drug-like Properties: Concepts, Structure Design and Methods by : Li Di

Download or read book Drug-like Properties: Concepts, Structure Design and Methods written by Li Di and published by Elsevier. This book was released on 2010-07-26 with total page 549 pages. Available in PDF, EPUB and Kindle. Book excerpt: Of the thousands of novel compounds that a drug discovery project team invents and that bind to the therapeutic target, typically only a fraction of these have sufficient ADME/Tox properties to become a drug product. Understanding ADME/Tox is critical for all drug researchers, owing to its increasing importance in advancing high quality candidates to clinical studies and the processes of drug discovery. If the properties are weak, the candidate will have a high risk of failure or be less desirable as a drug product. This book is a tool and resource for scientists engaged in, or preparing for, the selection and optimization process. The authors describe how properties affect in vivo pharmacological activity and impact in vitro assays. Individual drug-like properties are discussed from a practical point of view, such as solubility, permeability and metabolic stability, with regard to fundamental understanding, applications of property data in drug discovery and examples of structural modifications that have achieved improved property performance. The authors also review various methods for the screening (high throughput), diagnosis (medium throughput) and in-depth (low throughput) analysis of drug properties. Serves as an essential working handbook aimed at scientists and students in medicinal chemistry Provides practical, step-by-step guidance on property fundamentals, effects, structure-property relationships, and structure modification strategies Discusses improvements in pharmacokinetics from a practical chemist's standpoint

Guidebook on Molecular Modeling in Drug Design

Author : N. Claude Cohen
Publisher : Gulf Professional Publishing
ISBN 13 : 9780121782450
Total Pages : 386 pages
Book Rating : 4.7/5 (824 download)

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Book Synopsis Guidebook on Molecular Modeling in Drug Design by : N. Claude Cohen

Download or read book Guidebook on Molecular Modeling in Drug Design written by N. Claude Cohen and published by Gulf Professional Publishing. This book was released on 1996-04-26 with total page 386 pages. Available in PDF, EPUB and Kindle. Book excerpt: The molecular modeling perspective in drug design. (N. Calude Cohen). Molecular graphics and modeling: tools of the trade. (Roderick E. Hubbard). Molecular modeling of small molecules. (Tamara Gund). Computer assisted new lead design. (Akiko Itai, Miho Yamada Mizutani, Yoshihiko Nishibata, and Nubuo Tomioka). Experimental techniques and data banks. (John P. Priestle and C. Gregory Paris). Computer-assisted drug discovery. (Peter Gund, Gerald Maggiora, and James P. Snyder). Modeling drug-receptor interactions. (Konrad F. Koehler, Shashidhar N. Rao, and James P. Snyder). Glossary of terminology. (J. P. Tollenaere).

Drug Design

Author : Everhardus Jacobus Ariëns
Publisher :
ISBN 13 :
Total Pages : 614 pages
Book Rating : 4.:/5 (41 download)

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Book Synopsis Drug Design by : Everhardus Jacobus Ariëns

Download or read book Drug Design written by Everhardus Jacobus Ariëns and published by . This book was released on 1971 with total page 614 pages. Available in PDF, EPUB and Kindle. Book excerpt:

The Ups and Downs in Drug Design

Author : Victor E. Marquez
Publisher : CRC Press
ISBN 13 : 1000462943
Total Pages : 566 pages
Book Rating : 4.0/5 (4 download)

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Book Synopsis The Ups and Downs in Drug Design by : Victor E. Marquez

Download or read book The Ups and Downs in Drug Design written by Victor E. Marquez and published by CRC Press. This book was released on 2021-11-15 with total page 566 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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

Chemistry and Molecular Aspects of Drug Design and Action

Author : E. A. Rekka
Publisher : CRC Press
ISBN 13 : 1420008277
Total Pages : 384 pages
Book Rating : 4.4/5 (2 download)

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Book Synopsis Chemistry and Molecular Aspects of Drug Design and Action by : E. A. Rekka

Download or read book Chemistry and Molecular Aspects of Drug Design and Action written by E. A. Rekka and published by CRC Press. This book was released on 2008-04-28 with total page 384 pages. Available in PDF, EPUB and Kindle. Book excerpt: An ever-increasing demand for better drugs, elevated safety standards, and economic considerations have all led to a dramatic paradigm shift in the way that drugs are being discovered and developed. Known as rational drug design, this contemporary process is defined by three main steps: the discovery of lead compounds, surgical manipulation to deve