A 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 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

Produk Detail:

  • Author : Sun Hongmao
  • Publisher : Woodhead Publishing
  • Pages : 292 pages
  • ISBN : 0081001053
  • Rating : 4/5 from 21 reviews
CLICK HERE TO GET THIS BOOKA Practical Guide to Rational Drug Design

A Practical Guide to Rational Drug Design

A Practical Guide to Rational Drug Design
  • Author : Sun Hongmao
  • Publisher : Woodhead Publishing
  • Release : 05 October 2015
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

Rational Drug Design

Rational Drug Design
  • Author : American Chemical Society,Abby L. Parrill,M. Rami Reddy,American Chemical Society. Division of Computers in Chemistry
  • Publisher : Amer Chemical Society
  • Release : 22 January 1999
GET THIS BOOKRational Drug Design

This book provides both an overview of current progress in the field of rational drug design and an update on activites related to applied drug design and the development of new methodology for drug design.

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 : 29 November 2017
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 : 10 December 2009
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

Computational Chemistry

Computational Chemistry
  • Author : David Young
  • Publisher : John Wiley & Sons
  • Release : 07 April 2004
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.

A Practical Guide to Combinatorial Chemistry

A Practical Guide to Combinatorial Chemistry
  • Author : Anthony W. Czarnik,Sheila Hobbs Dewitt
  • Publisher : Amer Chemical Society
  • Release : 22 January 1997
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.

Drug Design

Drug Design
  • Author : Kenneth M. Merz, Jr,Dagmar Ringe,Charles H. Reynolds
  • Publisher : Cambridge University Press
  • Release : 31 May 2010
GET THIS BOOKDrug Design

Structure-based (SBDD) and ligand-based (LBDD) drug design are extremely important and active areas of research in both the academic and commercial realms. This book provides a complete snapshot of the field of computer-aided drug design and associated experimental approaches. Topics covered include X-ray crystallography, NMR, fragment-based drug design, free energy methods, docking and scoring, linear-scaling quantum calculations, QSAR, pharmacophore methods, computational ADME-Tox, and drug discovery case studies. A variety of authors from academic and commercial institutions all over the world

Predicting Chemical Toxicity and Fate

Predicting Chemical Toxicity and Fate
  • Author : Mark T.D. Cronin
  • Publisher : CRC Press
  • Release : 10 May 2004
GET THIS BOOKPredicting Chemical Toxicity and Fate

Quantitative Structure-Activity Relationships (QSARs) are increasingly used to predict the harmful effects of chemicals to humans and the environment. The increased use of these methods in a variety of areas (academic, industrial, regulatory) results from a realization that very little toxicological or fate data is available on the vast amount of chemicals to which humans and the environment are exposed. Predicting Chemical Toxicity and Fate provides a comprehensive explanation of the state-of-the-art methods that are available to predict the effects

Phase I Cancer Clinical Trials

Phase I Cancer Clinical Trials
  • Author : Elizabeth A. Eisenhauer,Christopher Twelves,Marc Buyse
  • Publisher : Oxford University Press
  • Release : 20 March 2015
GET THIS BOOKPhase I Cancer Clinical Trials

Phase I trials are a critical first step in the study of novel cancer therapeutic approaches. Their primary goals are to identify the recommended dose, schedule and pharmacologic behavior of new agents or new combinations of agents and to describe the adverse effects of treatment. In cancer therapeutics, such studies have particular challenges. Due to the nature of the effects of treatment, most such studies are conducted in patients with advanced malignancy, rather than in healthy volunteers. Further, the endpoints

Receptor - Based Drug Design

Receptor - Based Drug Design
  • Author : Paul Leff
  • Publisher : CRC Press
  • Release : 10 April 1998
GET THIS BOOKReceptor - Based Drug Design

Employing a wide range of examples from G-protein-coupled receptors and ligand-gated ion channels, this detailed, single-source reference illustrates the principles of pharmacological analysis and receptor classification that are the basis of rational drug design. Explains the experimental and theoretical methods used to characterize interactions between ligands and receptors-providing the pharmacological information needed to solve treatment problems and facilitate the drug design process! Demonstrating the achievements of the receptor-based approach in therapeutics and indicating future directions, Receptor-Based Drug Design introduces novel

The Laboratory Computer

The Laboratory Computer
  • Author : John Dempster
  • Publisher : Academic Press
  • Release : 24 July 2001
GET THIS BOOKThe Laboratory Computer

The Laboratory Computer: A Practical Guide for Physiologists and Neuroscientists introduces the reader to both the basic principles and the actual practice of recording physiological signals using the computer. It describes the basic operation of the computer, the types of transducers used to measure physical quantities such as temperature and pressure, how these signals are amplified and converted into digital form, and the mathematical analysis techniques that can then be applied. It is aimed at the physiologist or neuroscientist using

New Perspectives in Drug Design

New Perspectives in Drug Design
  • Author : P. M. Dean,Philip Michael Dean,Georges Jolles,C. G. Newton
  • Publisher : Unknown Publisher
  • Release : 22 January 1995
GET THIS BOOKNew Perspectives in Drug Design

This text updates the first Rhone-Poulenc Rorer Round Table Conference volume on the subject of drug design. It covers topics from the practicalities of synthetic organic chemistry to the potential pitfalls in the mathematics of free-energy calculations.

Development of Innovative Drugs via Modeling with MATLAB

Development of Innovative Drugs via Modeling with MATLAB
  • Author : Ronald Gieschke,Daniel Serafin
  • Publisher : Springer Science & Business Media
  • Release : 27 November 2013
GET THIS BOOKDevelopment of Innovative Drugs via Modeling with MATLAB

The development of innovative drugs is becoming more difficult while relying on empirical approaches. This inspired all major pharmaceutical companies to pursue alternative model-based paradigms. The key question is: How to find innovative compounds and, subsequently, appropriate dosage regimens? Written from the industry perspective and based on many years of experience, this book offers: - Concepts for creation of drug-disease models, introduced and supplemented with extensive MATLAB programs - Guidance for exploration and modification of these programs to enhance the

Designing Bioactive Molecules

Designing Bioactive Molecules
  • Author : Yvonne Connolly Martin,Peter Willett
  • Publisher : Amer Chemical Society
  • Release : 22 January 1998
GET THIS BOOKDesigning Bioactive Molecules

Three-dimensional structural information often provides the key to dis covering or designing bioactive molecules and compounds. This volume c overs the principal computational techniques for processing three-dime nsional structures of small molecules and compounds. It describes data base construction and searching, analysis of structure-activity relati onships by pharmacophore mapping and QSAR, prediction of biological po tency of small molecules and compounds by QSAR and by docking to macro molecular targets. The book also includes a chapter on de novo design