Rational Molecular Design in Drug Research

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Author :
Publisher : Wiley-Blackwell
ISBN 13 :
Total Pages : 408 pages
Book Rating : 4.3/5 (91 download)

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Book Synopsis Rational Molecular Design in Drug Research by : Tommy Liljefors

Download or read book Rational Molecular Design in Drug Research written by Tommy Liljefors and published by Wiley-Blackwell. This book was released on 1998 with total page 408 pages. Available in PDF, EPUB and Kindle. Book excerpt:

A Practical Guide to Rational Drug Design

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Author :
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

Rational Drug Design

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Publisher : Humana
ISBN 13 : 9781493986293
Total Pages : 0 pages
Book Rating : 4.9/5 (862 download)

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Book Synopsis Rational Drug Design by : Thomas Mavromoustakos

Download or read book Rational Drug Design written by Thomas Mavromoustakos and published by Humana. This book was released on 2018-07-24 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume covers several aspects of rational drug design, such as synthesis of novel bioactive drugs; development and application of new methodologies; computational methods valuable for the establishment of new approaches in drug discovery; and the effects of physical-chemical and ADMET properties of the designed potential drugs. Chapters guide readers through amyloid deposits, Saturation Transfer Difference (STD) NMR, methods on bioguided design, the importance of lipophilicity in drug design, ADMET, FRET, structural biology, and homology modeling. Written in the highly successful Methods in 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 tips on troubleshooting and avoiding known pitfalls. Authoritative and cutting-edge, Rational Drug Design: Methods and Protocols aims to ensure successful results in the further study of this vital field.

Guidebook on Molecular Modeling in Drug Design

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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).

Molecular Modeling in Drug Design

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Author :
Publisher : MDPI
ISBN 13 : 3038976148
Total Pages : 220 pages
Book Rating : 4.0/5 (389 download)

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Book Synopsis Molecular Modeling in Drug Design by : Rebecca Wade

Download or read book Molecular Modeling in Drug Design written by Rebecca Wade and published by MDPI. This book was released on 2019-03-26 with total page 220 pages. Available in PDF, EPUB and Kindle. Book excerpt: Since the first attempts at structure-based drug design about four decades ago, molecular modelling techniques for drug design have developed enormously, along with the increasing computational power and structural and biological information of active compounds and potential target molecules. Nowadays, molecular modeling can be considered to be an integral component of the modern drug discovery and development toolbox. Nevertheless, there are still many methodological challenges to be overcome in the application of molecular modeling approaches to drug discovery. The eight original research and five review articles collected in this book provide a snapshot of the state-of-the-art of molecular modeling in drug design, illustrating recent advances and critically discussing important challenges. The topics covered include virtual screening and pharmacophore modelling, chemoinformatic applications of artificial intelligence and machine learning, molecular dynamics simulation and enhanced sampling to investigate contributions of molecular flexibility to drug–receptor interactions, the modeling of drug–receptor solvation, hydrogen bonding and polarization, and drug design against protein–protein interfaces and membrane protein receptors.

Rational Drug Design

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Publisher :
ISBN 13 :
Total Pages : 408 pages
Book Rating : 4.3/5 (91 download)

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Book Synopsis Rational Drug Design by : Abby L. Parrill

Download or read book Rational Drug Design written by Abby L. Parrill and published by . This book was released on 1999 with total page 408 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book is an overview of current progress in drug design. It focuses on energetics of drug interactions with solvents and biomolecules, applications of traditional drug design methods, and related evolutionary algorithms.

Structure-Based Drug Design

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Publisher : Routledge
ISBN 13 : 1351413066
Total Pages : 665 pages
Book Rating : 4.3/5 (514 download)

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Book Synopsis Structure-Based Drug Design by : Pandi Veerapandian

Download or read book Structure-Based Drug Design written by Pandi Veerapandian and published by Routledge. This book was released on 2018-03-29 with total page 665 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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!

Guidebook on Molecular Modeling in Drug Design

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Author :
Publisher : Elsevier
ISBN 13 : 0080532330
Total Pages : 376 pages
Book Rating : 4.0/5 (85 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 Elsevier. This book was released on 1996-05-16 with total page 376 pages. Available in PDF, EPUB and Kindle. Book excerpt: Specially designed computer software is revolutionizing procedures for structured or rational drug design and discovery. The Guidebook on Molecular Modeling in Drug Design serves as a manual for the analysis ofmolecular structure and the correlation of these structures with pharmacological reactions. Intended as an introductory guide for advanced students and professionals with an interest in computer-assisted modeling for drug design and discovery, this bookwill also be of interest to medicinal and organic chemists, pharmaceutical researchers, pharmacologists, and biochemists who want to gain further insight into this rapidly advancing field. Molecular modeling is assuming an important role in the understanding of three-dimensional aspects in the specificity of drug-receptor interactions at the molecular level. This research area has become a well-established discipline in pharmaceutical research. It has created unprecedented opportunities in assisting medicinal chemists in the design of new therapeutic agents. Advances made in computer hardware and in theoretical medicinal chemistry have brought high-performance computing and graphics tools within reach of most academic and industrial laboratories, facilitating the development of useful approaches to rational drug design. The Guidebook on Molecular Modeling in Drug Design serves as a manual for the analysis of the molecular structure of biological molecules and drugs and the correlation of these structures with pharmacological actions. Intended as a guide for advanced students and professionals with an interest in computer-assisted modeling for drug design and discovery, this book will also be of interest to medicinal and organic chemists, pharmaceutical researchers, pharmacologists, and biochemists who want to gain further insight into this rapidly advancing field.

Pharmaceutical Sciences: Breakthroughs in Research and Practice

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Publisher : IGI Global
ISBN 13 : 1522517634
Total Pages : 1584 pages
Book Rating : 4.5/5 (225 download)

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Book Synopsis Pharmaceutical Sciences: Breakthroughs in Research and Practice by : Management Association, Information Resources

Download or read book Pharmaceutical Sciences: Breakthroughs in Research and Practice written by Management Association, Information Resources and published by IGI Global. This book was released on 2016-12-28 with total page 1584 pages. Available in PDF, EPUB and Kindle. Book excerpt: The delivery of optimal pharmaceutical services to patients is a pivotal concern in the healthcare field. By examining current trends and techniques in the industry, processes can be maintained and improved. Pharmaceutical Sciences: Breakthroughs in Research and Practice provides comprehensive coverage of the latest innovations and advancements for pharmaceutical applications. Focusing on emerging drug development techniques and drug delivery for improved health outcomes, this book is ideally designed for medical professionals, pharmacists, researchers, academics, and upper-level students within the growing pharmaceutical industry.

Molecular Design

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Publisher : John Wiley & Sons
ISBN 13 : 9783527314324
Total Pages : 284 pages
Book Rating : 4.3/5 (143 download)

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Book Synopsis Molecular Design by : Gisbert Schneider

Download or read book Molecular Design written by Gisbert Schneider and published by John Wiley & Sons. This book was released on 2008-02-26 with total page 284 pages. Available in PDF, EPUB and Kindle. Book excerpt: Kleine Moleküle für Einsteiger: Dieser für Lehre und Selbststudium gleichermaßen geeignete Band behandelt den computergestützten Entwurf von Wirkstoffen, Enzyminhibitoren, Sonden und Markern für Biomoleküle und führt den Leser bis zum ersten eigenen De-Novo-Design eines funktionellen Moleküls. Gestützt auf lange Erfahrung im Molecular-Modeling-Umfeld erläutern die Autoren, welche Fragen mit den beschriebenen Methoden beantwortet werden können (und welche nicht).

Computational Pharmaceutics

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Publisher : John Wiley & Sons
ISBN 13 : 1118573994
Total Pages : 350 pages
Book Rating : 4.1/5 (185 download)

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Book Synopsis Computational Pharmaceutics by : Defang Ouyang

Download or read book Computational Pharmaceutics written by Defang Ouyang and published by John Wiley & Sons. This book was released on 2015-07-20 with total page 350 pages. Available in PDF, EPUB and Kindle. Book excerpt: Molecular modeling techniques have been widely used in drug discovery fields for rational drug design and compound screening. Now these techniques are used to model or mimic the behavior of molecules, and help us study formulation at the molecular level. Computational pharmaceutics enables us to understand the mechanism of drug delivery, and to develop new drug delivery systems. The book discusses the modeling of different drug delivery systems, including cyclodextrins, solid dispersions, polymorphism prediction, dendrimer-based delivery systems, surfactant-based micelle, polymeric drug delivery systems, liposome, protein/peptide formulations, non-viral gene delivery systems, drug-protein binding, silica nanoparticles, carbon nanotube-based drug delivery systems, diamond nanoparticles and layered double hydroxides (LDHs) drug delivery systems. Although there are a number of existing books about rational drug design with molecular modeling techniques, these techniques still look mysterious and daunting for pharmaceutical scientists. This book fills the gap between pharmaceutics and molecular modeling, and presents a systematic and overall introduction to computational pharmaceutics. It covers all introductory, advanced and specialist levels. It provides a totally different perspective to pharmaceutical scientists, and will greatly facilitate the development of pharmaceutics. It also helps computational chemists to look for the important questions in the drug delivery field. This book is included in the Advances in Pharmaceutical Technology book series.

Chemistry and Molecular Aspects of Drug Design and Action

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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

Rational Drug Design

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Publisher : Humana Press
ISBN 13 : 9781627030076
Total Pages : 230 pages
Book Rating : 4.0/5 (3 download)

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Book Synopsis Rational Drug Design by : Yi Zheng

Download or read book Rational Drug Design written by Yi Zheng and published by Humana Press. This book was released on 2012-09-06 with total page 230 pages. Available in PDF, EPUB and Kindle. Book excerpt: Over the past three decades there have been new developments in therapeutic drug design. In Rational Drug Design: Methods and Protocols, expert researchers in the field detail many of the methodologies used to study rational drug design. These include methods such as virtual screening of chemical hits, rational lead discovery by high throughput screening, combinatorial and fragment based lead generation, peptide based drug discovery, and animal models of lead validation. 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, Rational Drug Design: Methods and Protocols seeks to aid scientists in the further study of rational drug design and future drug discovery.

The Organic Chemistry of Drug Design and Drug Action

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Publisher : Elsevier
ISBN 13 : 0080513379
Total Pages : 650 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 650 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

Chemometric Methods in Molecular Design

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Publisher : John Wiley & Sons
ISBN 13 : 352761544X
Total Pages : 379 pages
Book Rating : 4.5/5 (276 download)

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Book Synopsis Chemometric Methods in Molecular Design by : Han van de Waterbeemd

Download or read book Chemometric Methods in Molecular Design written by Han van de Waterbeemd and published by John Wiley & Sons. This book was released on 2008-07-11 with total page 379 pages. Available in PDF, EPUB and Kindle. Book excerpt: The statistical analysis of experimental and theoretical data lies at the heart of modern drug design. This practice-oriented handbook is a comprehensive account of modern chemometric methods in molecular design. It presents strategies for making more rational choices in the planning of syntheses, and describes techniques for analyzing biological and chemical data. Written by the world's experts, it provides in-depth information on * molecular concepts * experimental design in the planning of syntheses * multivariate analysis of chemical and biological data * statistical validation of QSAR results An additional benefit: the book contains a critical survey of commercially available software packages both for statistical analysis as well as for special applications. Industrial and academic researches in medicinal chemistry and organic chemistry will value this book as a useful source of information for their daily work. Also available: Advanced Computer-Assisted Techniques in Drug Discovery, edited by H. van de Waterbeemd

Drug Design

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Publisher : CRC Press
ISBN 13 : 1000603881
Total Pages : 486 pages
Book Rating : 4.0/5 (6 download)

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Book Synopsis Drug Design by : T. Durai Ananda Kumar

Download or read book Drug Design written by T. Durai Ananda Kumar and published by CRC Press. This book was released on 2022-06-02 with total page 486 pages. Available in PDF, EPUB and Kindle. Book excerpt: The newer research areas in pharmaceutical sciences, particularly molecular modeling and simulations, prompted a more efficient drug discovery process. Informatics integrated with pharmaceutical sciences (cheminformatics and bioinformatics) became an essential component of drug research. Drug informatics such as genomics and proteomics assists in the Rational Drug Design (RDD). This emerging discipline is known as “Computer-Aided Drug Design (CADD)”, which has profound application in rational drug design (RDD). The advanced and adequate practice in drug design informatics is essential for pharmacy graduates. Hence, a companion for acquiring knowledge on these concepts is vital. The students of B. Pharmacy, M. Pharmacy (Pharmaceutical Chemistry, Pharmacology, and Pharmaceutics), biotechnology, biomedical engineering and other interdisciplinary fields may find this book as a reference guide. The salient features of this book are: • Systematic and simple approach • Emphasis on traditional and modern drug design strategies • Comprehensive coverage for the current advances in the drug design • Experimental section to ensure hands-on-experience Note: T& F does not sell or distribute the Hardback in India, Pakistan, Nepal, Bhutan, Bangladesh and Sri Lanka.

Influenza Virus Sialidase - A Drug Discovery Target

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Publisher : Springer Science & Business Media
ISBN 13 : 3764389273
Total Pages : 184 pages
Book Rating : 4.7/5 (643 download)

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Book Synopsis Influenza Virus Sialidase - A Drug Discovery Target by : Mark Itzstein

Download or read book Influenza Virus Sialidase - A Drug Discovery Target written by Mark Itzstein and published by Springer Science & Business Media. This book was released on 2011-09-01 with total page 184 pages. Available in PDF, EPUB and Kindle. Book excerpt: Influenza continues to be an ongoing problem despite the existence of vaccines and drugs. Disease outbreaks can occur relatively quickly as witnessed with the recent emergence of the influenza virus A/H1N1 pandemic. The development of new anti-influenza drugs is thus a major challenge. This volume describes all aspects of the virus structure and function relevant to infection. The focus is on drug discovery of inhibitors to the enzyme sialidase, which plays a key role in the infectious lifecycle of the virus. Following an overview of the influenza virus, the haemagglutinin, the interactions with the cell receptors and the enzymology of virus sialidase, recent results in drug design are presented. These include a full coverage of the design, synthesis and evaluation of carbohydrate as well as non-carbohydrate influenza virus sialidase inhibitors. Further reviews of the clinical experience with influenza virus sialidase inhibitors and of the development of resistance to these inhibitor drugs complement the topic.