A Practical Guide to Rational Drug Design

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  • Publisher : Woodhead Publishing
  • Release : 01 October 2015
  • ISBN : 0081000987
  • Page : 292 pages
  • Rating : 4.5/5 from 103 voters

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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

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A Practical Guide to Rational Drug Design

A Practical Guide to Rational Drug Design
  • Author : Sun Hongmao
  • Publisher : Woodhead Publishing
  • Release Date : 2015-10-01
  • ISBN : 0081000987
GET THIS BOOKA Practical Guide to Rational Drug Design

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

A Practical Guide to Rational Drug Design

A Practical Guide to Rational Drug Design
  • Author : Sun Hongmao
  • Publisher : Woodhead Publishing
  • Release Date : 2015-10-05
  • ISBN : 9780081001059
GET THIS BOOKA Practical Guide to Rational Drug Design

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

Computational Drug Design

Computational Drug Design
  • Author : D. C. Young
  • Publisher : John Wiley & Sons
  • Release Date : 2009-01-28
  • ISBN : 047045184X
GET THIS BOOKComputational Drug Design

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

Big Data, Machine Learning, and Applications

Big Data, Machine Learning, and Applications
  • Author : Ripon Patgiri,Sivaji Bandyopadhyay,Malaya Dutta Borah,Dalton Meitei Thounaojam
  • Publisher : Springer Nature
  • Release Date : 2020-11-27
  • ISBN : 9783030626259
GET THIS BOOKBig Data, Machine Learning, and Applications

This book constitutes refereed proceedings of the First International First International Conference on Big Data, Machine Learning, and Applications, BigDML 2019, held in Silchar, India, in December. The 6 full papers and 3 short papers were carefully reviewed and selected from 152 submissions. The papers present research on such topics as computing methodology; machine learning; artificial intelligence; information systems; security and privacy.

Innovations and Implementations of Computer Aided Drug Discovery Strategies in Rational Drug Design

Innovations and Implementations of Computer Aided Drug Discovery Strategies in Rational Drug Design
  • Author : Sanjeev Kumar Singh
  • Publisher : Springer Nature
  • Release Date : 2021-02-02
  • ISBN : 9789811589362
GET THIS BOOKInnovations and Implementations of Computer Aided Drug Discovery Strategies in Rational Drug Design

This book presents various computer-aided drug discovery methods for the design and development of ligand and structure-based drug molecules. A wide variety of computational approaches are now being used in various stages of drug discovery and development, as well as in clinical studies. Yet, despite the rapid advances in computer software and hardware, combined with the exponential growth in the available biological information, there are many challenges that still need to be addressed, as this book shows. In turn, it

Chemometrics and Cheminformatics in Aquatic Toxicology

Chemometrics and Cheminformatics in Aquatic Toxicology
  • Author : Kunal Roy
  • Publisher : John Wiley & Sons
  • Release Date : 2022-01-06
  • ISBN : 9781119681595
GET THIS BOOKChemometrics and Cheminformatics in Aquatic Toxicology

Explore chemometric and cheminformatic techniques and tools in aquatic toxicology Chemometrics and Cheminformatics in Aquatic Toxicology delivers an exploration of the existing and emerging problems of contamination of the aquatic environment through various metal and organic pollutants, including industrial chemicals, pharmaceuticals, cosmetics, biocides, nanomaterials, pesticides, surfactants, dyes, and more. The book discusses different chemometric and cheminformatic tools for non-experts and their application to the analysis and modeling of toxicity data of chemicals to various aquatic organisms. You’ll learn about

A Practical Guide to Pharmacological Biotechnology

A Practical Guide to Pharmacological Biotechnology
  • Author : Jayanta Kumar Patra,Swagat Kumar Das,Gitishree Das,Hrudayanath Thatoi
  • Publisher : Springer
  • Release Date : 2019-03-25
  • ISBN : 9789811363559
GET THIS BOOKA Practical Guide to Pharmacological Biotechnology

Pharmacological biotechnology is applied to and used to study drug development, working mechanisms, diagnosis, and therapies. This textbook covers the whole range of experiments related to pharmacology. It also contains basic laboratory safety guidelines along with the basic calculations and formulas used in a laboratory. Each chapter starts with an introduction/theory into the basic approach followed by detailed methods sections with easy-to-follow protocols and comprehensive troubleshooting, calculations and possible questions for examination. The target group is researchers who are

A Practical Guide To Cancer Systems Biology

A Practical Guide To Cancer Systems Biology
  • Author : Juan Hsueh-fen,Huang Hsuan-cheng
  • Publisher : World Scientific
  • Release Date : 2017-11-29
  • ISBN : 9789813229167
GET THIS BOOKA Practical Guide To Cancer Systems Biology

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.

A Practical Guide to Scientific Data Analysis

A Practical Guide to Scientific Data Analysis
  • Author : David J. Livingstone
  • Publisher : John Wiley & Sons
  • Release Date : 2009-12-10
  • ISBN : 9780470684818
GET THIS BOOKA Practical Guide to Scientific Data Analysis

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

A Practical Guide to Assay Development and High-Throughput Screening in Drug Discovery

A Practical Guide to Assay Development and High-Throughput Screening in Drug Discovery
  • Author : Taosheng Chen
  • Publisher : CRC Press
  • Release Date : 2009-12-21
  • ISBN : 9781420070514
GET THIS BOOKA Practical Guide to Assay Development and High-Throughput Screening in Drug Discovery

The development of suitable assays, the integration of appropriate technology, and the effective management of the essential infrastructure are all critical to the success of any high-throughput screening (HTS) endeavor. However, few scientists have the multidisciplinary experience needed to control all aspects of an HTS drug discovery project. A P

Computational Chemistry

Computational Chemistry
  • Author : David Young
  • Publisher : John Wiley & Sons
  • Release Date : 2004-04-07
  • ISBN : 9780471458432
GET THIS BOOKComputational Chemistry

A practical, easily accessible guide for bench-top chemists, thisbook focuses on accurately applying computational chemistrytechniques to everyday chemistry problems. Provides nonmathematical explanations of advanced topics incomputational chemistry. Focuses on when and how to apply different computationaltechniques. Addresses computational chemistry connections to biochemicalsystems and polymers. Provides a prioritized list of methods for attacking difficultcomputational chemistry problems, and compares advantages anddisadvantages of various approximation techniques. Describes how the choice of methods of software affectsrequirements for computer memory and processing time.

Targeted Intracellular Drug Delivery by Receptor Mediated Endocytosis

Targeted Intracellular Drug Delivery by Receptor Mediated Endocytosis
  • Author : Padma V. Devarajan,Prajakta Dandekar,Anisha A. D'Souza
  • Publisher : Springer Nature
  • Release Date : 2019-11-09
  • ISBN : 9783030291686
GET THIS BOOKTargeted Intracellular Drug Delivery by Receptor Mediated Endocytosis

This book elaborates on drug delivery targeting via intracellular delivery, specifically through the Receptor Mediated Endocytosis (RME) approach, due to the involvement of cellular receptors in various grave diseases. Targeted delivery relies on two basic approaches, passive and active targeting. While passive targeting approaches have shown great promise, the improved selectivity achieved with active targeting approaches has resulted in significantly higher efficacy. Interestingly there are numerous strategies for active targeting, many of which are already highlighted in , Targeted Drug Delivery:

A Comprehensive Guide to Toxicology in Preclinical Drug Development

A Comprehensive Guide to Toxicology in Preclinical Drug Development
  • Author : Ali S. Faqi
  • Publisher : Academic Press
  • Release Date : 2012-11-16
  • ISBN : 9780123878151
GET THIS BOOKA Comprehensive Guide to Toxicology in Preclinical Drug Development

A Comprehensive Guide to Toxicology in Preclinical Drug Development is a resource for toxicologists in industry and regulatory settings, as well as directors working in contract resource organizations, who need a thorough understanding of the drug development process. Incorporating real-life case studies and examples, the book is a practical guide that outlines day-to-day activities and experiences in preclinical toxicology. This multi-contributed reference provides a detailed picture of the complex and highly interrelated activities of preclinical toxicology in both small molecules

A Comprehensive Guide to Toxicology in Nonclinical Drug Development

A Comprehensive Guide to Toxicology in Nonclinical Drug Development
  • Author : Ali S. Faqi
  • Publisher : Academic Press
  • Release Date : 2016-11-03
  • ISBN : 9780128036211
GET THIS BOOKA Comprehensive Guide to Toxicology in Nonclinical Drug Development

A Comprehensive Guide to Toxicology in Nonclinical Drug Development, Second Edition, is a valuable reference designed to provide a complete understanding of all aspects of nonclinical toxicology in the development of small molecules and biologics. This updated edition has been reorganized and expanded to include important topics such as stem cells in nonclinical toxicology, inhalation and dermal toxicology, pitfalls in drug development, biomarkers in toxicology, and more. Thoroughly updated to reflect the latest scientific advances and with increased coverage of

A Practical Guide to Combinatorial Chemistry

A Practical Guide to Combinatorial Chemistry
  • Author : Anthony W. Czarnik
  • Publisher : Acs Professional Reference Boo
  • Release Date : 1997
  • ISBN : STANFORD:36105020180001
GET THIS BOOKA Practical Guide to Combinatorial Chemistry

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.