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Computer Applications In Pharmaceutical Research And Development

Author: Sean Ekins
Publisher: John Wiley & Sons
ISBN: 0470037229
Size: 18.17 MB
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A unique, holistic approach covering all functions and phases of pharmaceutical research and development While there are a number of texts dedicated to individual aspects of pharmaceutical research and development, this unique contributed work takes a holistic and integrative approach to the use of computers in all phases of drug discovery, development, and marketing. It explains how applications are used at various stages, including bioinformatics, data mining, predicting human response to drugs, and high-throughput screening. By providing a comprehensive view, the book offers readers a unique framework and systems perspective from which they can devise strategies to thoroughly exploit the use of computers in their organizations during all phases of the discovery and development process. Chapters are organized into the following sections: * Computers in pharmaceutical research and development: a general overview * Understanding diseases: mining complex systems for knowledge * Scientific information handling and enhancing productivity * Computers in drug discovery * Computers in preclinical development * Computers in development decision making, economics, and market analysis * Computers in clinical development * Future applications and future development Each chapter is written by one or more leading experts in the field and carefully edited to ensure a consistent structure and approach throughout the book. Figures are used extensively to illustrate complex concepts and multifaceted processes. References are provided in each chapter to enable readers to continue investigating a particular topic in depth. Finally, tables of software resources are provided in many of the chapters. This is essential reading for IT professionals and scientists in the pharmaceutical industry as well as researchers involved in informatics and ADMET, drug discovery, and technology development. The book's cross-functional, all-phases approach provides a unique opportunity for a holistic analysis and assessment of computer applications in pharmaceutics.

Computer Applications In Drug Discovery And Development

Author: Puratchikody, A.
Publisher: IGI Global
ISBN: 1522573275
Size: 14.38 MB
Format: PDF, ePub
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With more restrictions upon animal experimentations, pharmaceutical industries are currently focusing on a new generation of experiments and technologies that are considerably more efficient and less controversial. The integration of computational and experimental strategies has led to the identification and development of promising compounds. Computer Applications in Drug Discovery and Development is a pivotal reference source that provides innovative research on the application of computers for discovering and designing new drugs in modern molecular biology and medicinal chemistry. While highlighting topics such as chemical structure databases and dataset utilization, this publication delves into the current panorama of drug discovery, where high drug failure rates are a major concern and properly designed virtual screening strategies can be a time-saving, cost-effective, and productive alternative. This book is ideally designed for chemical engineers, pharmacists, molecular biologists, students, researchers, and academicians seeking current research on the unexplored avenues and future perspectives of drug design.

Applied Chemoinformatics

Author: Thomas Engel
Publisher: John Wiley & Sons
ISBN: 3527806520
Size: 54.58 MB
Format: PDF
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Edited by world-famous pioneers in chemoinformatics, this is a clearly structured and applications-oriented approach to the topic, providing up-to-date and focused information on the wide range of applications in this exciting field. The authors explain methods and software tools, such that the reader will not only learn the basics but also how to use the different software packages available. Experts describe applications in such different fields as structure-spectra correlations, virtual screening, prediction of active sites, library design, the prediction of the properties of chemicals, the development of new cosmetics products, quality control in food, the design of new materials with improved properties, toxicity modeling, assessment of the risk of chemicals, and the control of chemical processes. The book is aimed at advanced students as well as lectures but also at scientists that want to learn how chemoinformatics could assist them in solving their daily scientific tasks. Together with the corresponding textbook Chemoinformatics - Basic Concepts and Methods (ISBN 9783527331093) on the fundamentals of chemoinformatics readers will have a comprehensive overview of the field.

Dendrimer Based Drug Delivery Systems

Author: Yiyun Cheng
Publisher: John Wiley & Sons
ISBN: 1118275225
Size: 73.49 MB
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The opportunities and challenges of using dendrimers to improvedrug delivery Among pharmaceutical and biomedical researchers, the use ofdendrimers in drug delivery systems has attracted increasinginterest. In particular, researchers have noted that the volume ofa dendrimer increases when it has a positive charge. If thisproperty can be applied effectively, dendrimers have enormouspotential in drug delivery systems, directly supplying medicationto targeted human organs. With contributions from an international team of pioneers andexperts in dendrimer research, this book provides a comprehensiveoverview of the latest research efforts in designing and optimizingdendrimer-based drug delivery systems. The book analyzes keyissues, demonstrating the critical connections that linkfundamental concepts, design, synthesis, analytical methodology,and biological assessment to the practical use of dendrimers indrug delivery applications. Topics covered include: Dendrimer history Synthesis Physicochemical properties Principles of drug delivery Applications in diverse biomedical fields Dendrimer-Based Drug Delivery Systems reflects theauthors' thorough review and analysis of the current literature aswell as their own firsthand experience in the lab. Readers will notonly discover the current state of the science, but also gainvaluable insights into fruitful directions for future research.References at the end of each chapter serve as a gateway to thegrowing body of literature in the field, enabling readers toexplore each individual topic in greater depth. Pharmaceutical and biomedical researchers will find this book aunique and essential guide to the opportunities, issues, andchallenges involved in fully exploiting the potential of dendrimersto improve drug delivery.

Hiv 1 Integrase

Author: Nouri Neamati
Publisher: John Wiley & Sons
ISBN: 1118015363
Size: 24.81 MB
Format: PDF, Docs
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This book comprehensively covers the mechanisms of action and inhibitor design for HIV-1 integrase. It serves as a resource for scientists facing challenging drug design issues and researchers in antiviral drug discovery. Despite numerous review articles and isolated book chapters dealing with HIV-1 integrase, there has not been a single source for those working to devise anti-AIDS drugs against this promising target. But this book fills that gap and offers a valuable introduction to the field for the interdisciplinary scientists who will need to work together to design drugs that target HIV-1 integrase.

Medicinal Chemistry Of Nucleic Acids

Author: Li-He Zhang
Publisher: John Wiley & Sons
ISBN: 9781118092811
Size: 63.66 MB
Format: PDF
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Complete, up-to-date coverage of the broad area of nucleic acidchemistry and biology Assembling contributions from a collection of authors withexpertise in all areas of nucleic acids, medicinal chemistry, andtherapeutic applications, Medicinal Chemistry of NucleicAcids presents a thorough overview of nucleic acidchemistry—a rapidly evolving and highly challengingdiscipline directly responsible for the development of antiviraland antitumor drugs. This reliable resource delves into a multitudeof subject areas involving the study of nucleic acids—such asthe new advances in genome sequencing, and the processes forcreating RNA interference (RNAi) based drugs—to assistpharmaceutical researchers in removing roadblocks that hinder theirability to predict drug efficacy. Offering the latest cutting-edgescience in this growing field, Medicinal Chemistry of Nucleic Acidsincludes: In-depth coverage of the development and application of modifiednucleosides and nucleotides in medicinal chemistry A close look at a large range of current topics on nucleic acidchemistry and biology Essential information on the use of nucleic acid drugs to treatdiseases like cancer A thorough exploration of siRNA for RNAi and the regulation ofmicroRNA, non-coding RNA (ncRNA), a newly developing and excitingresearch area Thorough in its approach and promising in its message,Medicinal Chemistry of Nucleic Acids probes the new domainsof pharmaceutical research—and exposes readers to a wealth ofnew drug discovery opportunities emerging in the dynamic field ofnucleic acid chemistry.

Drug Efficacy Safety And Biologics Discovery

Author: Sean Ekins
Publisher: John Wiley & Sons
ISBN: 0470431806
Size: 74.43 MB
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Drug Efficacy, Safety, and Biologics Discovery: Emerging Technologies and Tools covers key emerging technologies in pharmaceutical R & D and how they have substantially impacted (or are currently impacting) drug discovery. The cross-disciplinary collaborations implicit in integrating these technologies with drug discovery operations will fuel the engine for future innovations. This book cuts across the multiple areas of drug discovery, each chapter authored by pioneers in that field, making for a broad appeal to the chemical and biological scientists and technologists involved in drug discovery and development.

Chemosensors

Author: Binghe Wang
Publisher: John Wiley & Sons
ISBN: 9781118019573
Size: 47.53 MB
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A thorough, accessible, and general overview of chemosensors Providing a comprehensive overview of chemosensors—organic molecules designed to bind and sense small molecules or metal ions—and their applications, Chemosensors: Principles, Strategies, and Applications is an accessible one-stop resource for analysts, clinicians, and graduate students studying advanced chemistry and chemosensing. Chemosensors function on a molecular level, generating a signal upon binding. The book reviews their synthesis, design, and applications for detecting biological and organic molecules as well as metal ions. The text highlights applications in drug discovery and catalyses that have not been well covered elsewhere. Covering such topics as molecular recognition, detection methods, design strategies, and important biological issues, the book is broken into four sections that examine intermolecular interactions, strategies in sensor design, detection methods, and case studies in metal, saccharide, and amino acid sensing. An indispensable source of information for chemical and biomedical experts using sensors, Chemosensors includes case studies to make the material both accessible and understandable to chemists of all backgrounds.

Computational Toxicology

Author: Sean Ekins
Publisher: John Wiley & Sons
ISBN: 9780470145883
Size: 35.54 MB
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A comprehensive analysis of state-of-the-art molecular modeling approaches and strategies applied to risk assessment for pharmaceutical and environmental chemicals This unique volume describes how the interaction of molecules with toxicologically relevant targets can be predicted using computer-based tools utilizing X-ray crystal structures or homology, receptor, pharmacophore, and quantitative structure activity relationship (QSAR) models of human proteins. It covers the in vitro models used, newer technologies, and regulatory aspects. The book offers a complete systems perspective to risk assessment prediction, discussing experimental and computational approaches in detail, with: * An introduction to toxicology methods and an explanation of computational methods * In-depth reviews of QSAR methods applied to enzymes, transporters, nuclear receptors, and ion channels * Sections on applying computers to toxicology assessment in the pharmaceutical industry and in the environmental arena * Chapters written by leading international experts * Figures that illustrate computational models and references for further information This is a key resource for toxicologists and scientists in the pharmaceutical industry and environmental sciences as well as researchers involved in ADMET, drug discovery, and technology and software development.