Quantitative Molecular Pharmacology And Informatics In Drug Discovery

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Quantitative Molecular Pharmacology and Informatics in Drug Discovery

Michael Lutz,Terry Kenakin
Quantitative Molecular Pharmacology and Informatics in Drug Discovery Book PDF

Author : Michael Lutz,Terry Kenakin
Publisher : John Wiley & Sons
Page : 438 pages
File Size : 40,5 Mb
Release : 2000-01-10
Category : Medical
ISBN : 0471988618

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Quantitative Molecular Pharmacology and Informatics in Drug Discovery by Michael Lutz,Terry Kenakin Pdf

Quantitative Molecular Pharmacology and Informatics in Drug Discovery Michael Lutz, Section Head, Cheminformatics Group and Terry Kenakin, Principal Research Scientist, Glaxo Wellcome Research and Development, Research Triangle Park, NC, USA Quantitative Molecular Pharmacology and Informatics in Drug Discovery combines pharmacology, genetics and statistics to provide a complete guide to the modern drug discovery process. The book discusses the pharmacology of drug testing and provides a detailed description of the statistical methods used to analyze the resulting data. Application of genetic and genomic tools for identification of biological targets is reviewed in the context of drug discovery projects. Covering both the theoretical principles upon which the techniques are based and the practicalities of drug discovery, this informative guide. * outlines in step-by-step detail the advantages and disadvantages of each technology and approach and links these to the type of chemical target being sought after in the drug discovery process; and, * provides excellent demonstrations of how to use powerful pharmacological and statistical tools to optimize high-throughput screening assays. Written by two internationally known and well-regarded experts, this book is an essential reference for research and development scientists working in the pharmaceutical and biotechnology industries. It will also be useful for postgraduates studying pharmacology and applied statistics.

Chemoinformatics and Bioinformatics in the Pharmaceutical Sciences

Navneet Sharma,Himanshu Ojha,Pawan Raghav,Ramesh K. Goyal
Chemoinformatics and Bioinformatics in the Pharmaceutical Sciences Book PDF

Author : Navneet Sharma,Himanshu Ojha,Pawan Raghav,Ramesh K. Goyal
Publisher : Academic Press
Page : 510 pages
File Size : 45,9 Mb
Release : 2021-05-21
Category : Business & Economics
ISBN : 9780128217474

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Chemoinformatics and Bioinformatics in the Pharmaceutical Sciences by Navneet Sharma,Himanshu Ojha,Pawan Raghav,Ramesh K. Goyal Pdf

Chemoinformatics and Bioinformatics in the Pharmaceutical Sciences brings together two very important fields in pharmaceutical sciences that have been mostly seen as diverging from each other: chemoinformatics and bioinformatics. As developing drugs is an expensive and lengthy process, technology can improve the cost, efficiency and speed at which new drugs can be discovered and tested. This book presents some of the growing advancements of technology in the field of drug development and how the computational approaches explained here can reduce the financial and experimental burden of the drug discovery process. This book will be useful to pharmaceutical science researchers and students who need basic knowledge of computational techniques relevant to their projects. Bioscientists, bioinformaticians, computational scientists, and other stakeholders from industry and academia will also find this book helpful. Provides practical information on how to choose and use appropriate computational tools Presents the wide, intersecting fields of chemo-bio-informatics in an easily-accessible format Explores the fundamentals of the emerging field of chemoinformatics and bioinformatics

Chemoinformatics

Jürgen Bajorath
Chemoinformatics Book PDF

Author : Jürgen Bajorath
Publisher : Springer Science & Business Media
Page : 530 pages
File Size : 45,7 Mb
Release : 2008-02-04
Category : Medical
ISBN : 9781592598021

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Chemoinformatics by Jürgen Bajorath Pdf

In the literature, several terms are used synonymously to name the topic of this book: chem-, chemi-, or chemo-informatics. A widely recognized de- nition of this discipline is the one by Frank Brown from 1998 (1) who defined chemoinformatics as the combination of “all the information resources that a scientist needs to optimize the properties of a ligand to become a drug. ” In Brown’s definition, two aspects play a fundamentally important role: de- sion support by computational means and drug discovery, which distinguishes it from the term “chemical informatics” that was introduced at least ten years earlier and described as the application of information technology to ch- istry (not with a specific focus on drug discovery). In addition, there is of course “chemometrics,” which is generally understood as the application of statistical methods to chemical data and the derivation of relevant statistical models and descriptors (2). The pharmaceutical focus of many developments and efforts in this area—and the current popularity of gene-to-drug or si- lar paradigms—is further reflected by the recent introduction of such terms as “discovery informatics” (3), which takes into account that gaining kno- edge from chemical data alone is not sufficient to be ultimately successful in drug discovery. Such insights are well in accord with other views that the boundaries between bio- and chemoinformatics are fluid and that these d- ciplines should be closely combined or merged to significantly impact b- technology or pharmaceutical research (4).

Drug Design Strategies

David J. Livingstone,Andrew M. Davis
Drug Design Strategies Book PDF

Author : David J. Livingstone,Andrew M. Davis
Publisher : Royal Society of Chemistry
Page : 517 pages
File Size : 45,8 Mb
Release : 2012
Category : Medical
ISBN : 9781849731669

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Drug Design Strategies by David J. Livingstone,Andrew M. Davis Pdf

This book brings together drug design practitioners, all leaders in their field, who are actively advancing the field of quantitative methods to guide drug discovery, from structure-based design to empirical statistical models - from rule-based approaches to toxicology to the fields of bioinformatics and systems biology. The aim of the book is to show how various facets of the drug discovery process can be addressed in a quantitative fashion (ie: numerical analysis to enable robust predictions to be made). Each chapter includes a brief review of the topic showing the historical development of.

Chemoinformatics in Drug Discovery

Tudor I. Oprea
Chemoinformatics in Drug Discovery Book PDF

Author : Tudor I. Oprea
Publisher : John Wiley & Sons
Page : 515 pages
File Size : 50,7 Mb
Release : 2006-03-06
Category : Science
ISBN : 9783527604203

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Chemoinformatics in Drug Discovery by Tudor I. Oprea Pdf

This handbook provides the first-ever inside view of today's integrated approach to rational drug design. Chemoinformatics experts from large pharmaceutical companies, as well as from chemoinformatics service providers and from academia demonstrate what can be achieved today by harnessing the power of computational methods for the drug discovery process. With the user rather than the developer of chemoinformatics software in mind, this book describes the successful application of computational tools to real-life problems and presents solution strategies to commonly encountered problems. It shows how almost every step of the drug discovery pipeline can be optimized and accelerated by using chemoinformatics tools -- from the management of compound databases to targeted combinatorial synthesis, virtual screening and efficient hit-to-lead transition. An invaluable resource for drug developers and medicinal chemists in academia and industry.

Molecular Pharmacology

John Dickenson,Fiona Freeman,Chris Lloyd Mills,Christian Thode,Shiva Sivasubramaniam
Molecular Pharmacology Book PDF

Author : John Dickenson,Fiona Freeman,Chris Lloyd Mills,Christian Thode,Shiva Sivasubramaniam
Publisher : John Wiley & Sons
Page : 675 pages
File Size : 53,7 Mb
Release : 2012-11-30
Category : Medical
ISBN : 9781118451953

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Molecular Pharmacology by John Dickenson,Fiona Freeman,Chris Lloyd Mills,Christian Thode,Shiva Sivasubramaniam Pdf

This textbook provides a fresh, comprehensive and accessible introduction to the rapidly expanding field of molecular pharmacology. Adopting a drug target-based, rather than the traditional organ/system based, approach this innovative guide reflects the current advances and research trend towards molecular based drug design, derived from a detailed understanding of chemical responses in the body. Drugs are then tailored to fit a treatment profile, rather than the traditional method of ‘trial and error’ drug discovery which focuses on testing chemicals on animals or cell cultures and matching their effects to treatments. Providing an invaluable resource for advanced under-graduate and MSc/PhD students, new researchers to the field and practitioners for continuing professional development, Molecular Pharmacology explores; recent advances and developments in the four major human drug target families (G-protein coupled receptors, ion channels, nuclear receptors and transporters), cloning of drug targets, transgenic animal technology, gene therapy, pharmacogenomics and looks at the role of calcium in the cell. Current - focuses on cutting edge techniques and approaches, including new methods to quantify biological activities in different systems and ways to interpret and understand pharmacological data. Cutting Edge - highlights advances in pharmacogenomics and explores how an individual’s genetic makeup influences their response to therapeutic drugs and the potential for harmful side effects. Applied - includes numerous, real-world examples and a detailed case-study based chapter which looks at current and possible future treatment strategies for cystic fibrosis. This case study considers the relative merits of both drug therapy for specific classes of mutation and gene therapy to correct the underlying defect. Accessible - contains a comprehensive glossary, suggestions for further reading at the end of each chapter and an associated website that provides a complete set of figures from within the book.

Quantitative Structure-Activity Relationships in Drug Design, Predictive Toxicology, and Risk Assessment

Roy, Kunal
Quantitative Structure Activity Relationships in Drug Design Predictive Toxicology and Risk Assessment Book PDF

Author : Roy, Kunal
Publisher : IGI Global
Page : 727 pages
File Size : 51,9 Mb
Release : 2015-02-28
Category : Technology & Engineering
ISBN : 9781466681378

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Quantitative Structure-Activity Relationships in Drug Design, Predictive Toxicology, and Risk Assessment by Roy, Kunal Pdf

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.

Computer Applications in Drug Discovery and Development

Puratchikody, A.,Prabu, S. Lakshmana,Umamaheswari, A.
Computer Applications in Drug Discovery and Development Book PDF

Author : Puratchikody, A.,Prabu, S. Lakshmana,Umamaheswari, A.
Publisher : IGI Global
Page : 332 pages
File Size : 43,8 Mb
Release : 2018-11-23
Category : Medical
ISBN : 9781522573272

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Computer Applications in Drug Discovery and Development by Puratchikody, A.,Prabu, S. Lakshmana,Umamaheswari, A. Pdf

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.

In Silico Drug Discovery and Design

Claudio N. Cavasotto
In Silico Drug Discovery and Design Book PDF

Author : Claudio N. Cavasotto
Publisher : CRC Press
Page : 558 pages
File Size : 55,9 Mb
Release : 2015-08-06
Category : Medical
ISBN : 9781482217858

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In Silico Drug Discovery and Design by Claudio N. Cavasotto Pdf

In Silico Drug Discovery and Design: Theory, Methods, Challenges, and Applications provides a comprehensive, unified, and in-depth overview of the current methodological strategies in computer-aided drug discovery and design. Its main aims are to introduce the theoretical framework and algorithms, discuss the range of validity, strengths and limita

Computer Applications in Pharmaceutical Research and Development

Sean Ekins
Computer Applications in Pharmaceutical Research and Development Book PDF

Author : Sean Ekins
Publisher : John Wiley & Sons
Page : 840 pages
File Size : 48,8 Mb
Release : 2006-07-11
Category : Medical
ISBN : 9780470037225

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Computer Applications in Pharmaceutical Research and Development by Sean Ekins Pdf

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.

Chemoinformatics for Drug Discovery

Jürgen Bajorath
Chemoinformatics for Drug Discovery Book PDF

Author : Jürgen Bajorath
Publisher : John Wiley & Sons
Page : 483 pages
File Size : 43,6 Mb
Release : 2013-09-25
Category : Science
ISBN : 9781118743096

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Chemoinformatics for Drug Discovery by Jürgen Bajorath Pdf

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.

Functional Informatics in Drug Discovery

Sergey Ilyin
Functional Informatics in Drug Discovery Book PDF

Author : Sergey Ilyin
Publisher : CRC Press
Page : 160 pages
File Size : 53,5 Mb
Release : 2007-08-27
Category : Medical
ISBN : 1420015680

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Functional Informatics in Drug Discovery by Sergey Ilyin Pdf

Integrating various technologies with informational systems provides vast improvements to the overall research and development that occur in the biopharmaceutical industry. One of the first books to explore this area, Functional Informatics in Drug Discovery examines all aspects of technology integration and information flow in a biopharmaceutical

Translational Medicine

Robert A. Meyers
Translational Medicine Book PDF

Author : Robert A. Meyers
Publisher : John Wiley & Sons
Page : 1100 pages
File Size : 43,5 Mb
Release : 2018-03-02
Category : Science
ISBN : 9783527687190

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Translational Medicine by Robert A. Meyers Pdf

This reference work gives a compete overview of the different stages of drug development using a translational approach. The book is structured in different parts, following the different stages in drug development. Almost half of the work is dedicated to core of drug discovery using a translational approach, the identification of appropriate targets and screening methods for the identification of compounds interacting with these targets. The rest of book covers the whole downstream pipeline after the identification of lead compounds, such as bioavailability issues, identification of appropriate drug delivery venues, production and scaling issues and preclinical trials. As has been the case with other works in the encyclopedia, the book is made up of long, comprehensive and authoritative chapters, written by outstanding researchers in the field.

Modern Methods of Drug Discovery

Alexander Hillisch,Rolf Hilgenfeld
Modern Methods of Drug Discovery Book PDF

Author : Alexander Hillisch,Rolf Hilgenfeld
Publisher : Birkhäuser
Page : 294 pages
File Size : 50,8 Mb
Release : 2012-11-28
Category : Medical
ISBN : 9783034879972

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Modern Methods of Drug Discovery by Alexander Hillisch,Rolf Hilgenfeld Pdf

Research in the pharmaceutical industry today is in many respects quite different from what it used to be only fifteen years ago. There have been dramatic changes in approaches for identifying new chemical entities with a desired biological activity. While chemical modification of existing leads was the most important approach in the 1970s and 1980s, high-throughput screening and structure-based design are now major players among a multitude of methods used in drug discov ery. Quite often, companies favor one of these relatively new approaches over the other, e.g., screening over rational design, or vice versa, but we believe that an intelligent and concerted use of several or all methods currently available to drug discovery will be more successful in the medium term. What has changed most significantly in the past few years is the time available for identifying new chemical entities. Because of the high costs of drug discovery projects, pressure for maximum success in the shortest possible time is higher than ever. In addition, the multidisciplinary character of the field is much more pronounced today than it used to be. As a consequence, researchers and project managers in the pharmaceutical industry should have a solid knowledge of the more important methods available to drug discovery, because it is the rapidly and intelligently combined use of these which will determine the success or failure of preclinical projects.

CADD and Informatics in Drug Discovery

Mithun Rudrapal,Johra Khan
CADD and Informatics in Drug Discovery Book PDF

Author : Mithun Rudrapal,Johra Khan
Publisher : Springer Nature
Page : 370 pages
File Size : 50,5 Mb
Release : 2023-05-12
Category : Science
ISBN : 9789819913169

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CADD and Informatics in Drug Discovery by Mithun Rudrapal,Johra Khan Pdf

This book updates knowledge on recent advances in computational, biophysical and bioinformatics tools/techniques and their practical applications in modern drug design and discovery paradigm. It also encompasses fundamental principles, advanced methodologies and applications of various CADD approaches including several cutting-edge areas; presenting recent developments covering ongoing trends in the field of computer-aided drug discovery. Having contributions by a global team of experts, the book is expected to be an ideal resource for drug discovery scientists, medicinal chemists, pharmacologists, toxicologists, phytochemists, biochemists, biologists, R&D personnel, researchers, students, teachers and those working in the field of drug discovery. It will fill the knowledge gaps that exist in the current CADD approaches and methodologies/ protocols being widely used in both academic and research practices. Further, a special focus on current status of various computational drug design approaches (SBDD, LBDD, de novo drug design, pharmacophore-based search), bioinformatics tools and databases, computational screening and modeling of phytochemicals/natural products, artificial intelligence and machine learning, and network pharmacology and systems biology would certainly guide researchers, students or readers to conduct their research in the emerging area(s) of interest. It is also expected to be highly beneficial to various stakeholders working in the pharmaceutical and biotechnology industries (R&D), the academic as well as research sectors.