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A Practical Guide to Rational Drug Design

A Practical Guide to Rational Drug Design
  • Author : Sun Hongmao
  • Publsiher : Woodhead Publishing
  • Release : 05 October 2015
  • ISBN : 0081001053
  • Pages : 292 pages
  • Rating : 4/5 from 21 ratings
GET THIS BOOKA Practical Guide to Rational Drug Design

Summary:
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


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 : 04 March 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.



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 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


Structure-based Drug Discovery

Structure-based Drug Discovery
  • Author : Harren Jhoti,Andrew R. Leach
  • Publisher : Springer Science & Business Media
  • Release : 24 May 2007
GET THIS BOOKStructure-based Drug Discovery

This book describes some of the most exciting developments for the discovery of new drugs, such as Fragment-based methods. It contains the latest developments in technologies that can be used to obtain the 3-D structures. This book includes experimental approaches using X-ray crystallography and NMR for Fragment-based screening as well as other biophysical methods for studying protein/ligand interactions.


New Perspectives in Drug Design

New Perspectives in Drug Design
  • Author : P. M. Dean,Philip Michael Dean,Georges Jolles,C. G. Newton
  • Publisher : Anonim
  • Release : 04 March 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.


A Practical Guide to Combinatorial Chemistry

A Practical Guide to Combinatorial Chemistry
  • Author : Anthony W. Czarnik,Sheila Hobbs Dewitt
  • Publisher : Amer Chemical Society
  • Release : 04 March 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.


Chemoinformatics in Drug Discovery

Chemoinformatics in Drug Discovery
  • Author : Tudor I. Oprea
  • Publisher : John Wiley & Sons
  • Release : 06 March 2006
GET THIS BOOKChemoinformatics in Drug Discovery

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


In Silico Drug Discovery and Design

In Silico Drug Discovery and Design
  • Author : Claudio N. Cavasotto
  • Publisher : CRC Press
  • Release : 06 August 2015
GET THIS BOOKIn Silico Drug Discovery and Design

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


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


Rational Drug Design

Rational Drug Design
  • Author : Yi Zheng
  • Publisher : Humana Press
  • Release : 06 September 2012
GET THIS BOOKRational Drug Design

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


The Practice of Medicinal Chemistry

The Practice of Medicinal Chemistry
  • Author : Camille Georges Wermuth,David Aldous,Pierre Raboisson,Didier Rognan
  • Publisher : Elsevier
  • Release : 01 July 2015
GET THIS BOOKThe Practice of Medicinal Chemistry

The Practice of Medicinal Chemistry, Fourth Edition provides a practical and comprehensive overview of the daily issues facing pharmaceutical researchers and chemists. In addition to its thorough treatment of basic medicinal chemistry principles, this updated edition has been revised to provide new and expanded coverage of the latest technologies and approaches in drug discovery. With topics like high content screening, scoring, docking, binding free energy calculations, polypharmacology, QSAR, chemical collections and databases, and much more, this book is the go-to


Handbook of Research on Medicinal Chemistry

Handbook of Research on Medicinal Chemistry
  • Author : Debarshi Kar Mahapatra,Sanjay Kumar Bharti
  • Publisher : Taylor & Francis
  • Release : 20 November 2017
GET THIS BOOKHandbook of Research on Medicinal Chemistry

This valuable new book, Handbook of Research on Medicinal Chemistry: Innovations and Methodologies, presents some of the latest advancements in the various fields of combinatorial chemistry, drug discovery, biochemical aspects, pharmacology of medicinal agents, current practical problems, and nutraceuticals. The editors keep the drug molecule as the central component of the volume and aim to explain the associated features essential to exhibiting pharmacological activity. With a unique combination of chapters in biology, clinical aspects, biochemistry, synthetic chemistry, medicine and technology,