A Guide to the Chemical Basis of Drug Design

A Guide to the Chemical Basis of Drug Design
Author: Alfred Burger
Publisher:
Total Pages: 316
Release: 1983-09-23
Genre: Medical
ISBN:

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This book by a leading author in the field of medicinal chemistry deals with the chemical structure of biologically active compounds. Presents a unique historical overview of drug discovery and design using the historical facts of the pharmacology to reveal the serendipity of discovery and to point toward new structures that may be developed based on what has gone before.

An Introduction to Drug Design

An Introduction to Drug Design
Author: S. N. Pandeya
Publisher: New Age International
Total Pages: 228
Release: 1997
Genre: Drugs
ISBN: 9788122409437

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The Book Entitled, An Introduction To Drug Design Aims To Optimize The Discovery Of Drugs At A Low Cost And On Occasions To Change Their Pharmacokinetic And Pharmacodyanamic Properties. The Introductory Chapter Which Forms The Basis Of Drug Discovery Is Followed By The Present-Day Thinking Regarding The Best Approaches To Drug Discovery Are Considered. Similarly, There Have Been Major Advances In The Employment Of Computers In Structure-Activity Analysis, And A Discussion Of The State Of The Art In This Area Is Also Included.The Chapter On Qsar Highlights The Role Of Physico-Chemical Parameters In Predicting The Future Course Of Drug Discovery With Rational Drug Design. The Role Of Enzymes In Drug Action Is Well Established, And A Chapter On Design Of Enzyme Inhibitors Is Well Documented. In Addition, The Increased Understanding Of The Design And Utilisation Of Prodrugs Has Led To A Discussion Of The Relevant Issues In This Text.Thus The Book Will Fill The Need Of A Text For Designing New Drugs And The Principles Of New Drug Discovery.

Computational Drug Design

Computational Drug Design
Author: D. C. Young
Publisher: John Wiley & Sons
Total Pages: 344
Release: 2009-01-28
Genre: Science
ISBN: 9780470451847

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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 One, The Drug Design Process, sets forth a variety of design processes suitable for a number of different drug development scenarios and drug targets. The author demonstrates how computational techniques are typically used during the design process, helping readers choose the best computational tools to meet their goals. Part Two, Computational Tools and Techniques, offers a series of chapters, each one dedicated to a single computational technique. Readers discover the strengths and weaknesses of each technique. Moreover, the book tabulates comparative accuracy studies, giving readers an unbiased comparison of all the available techniques. Part Three, Related Topics, addresses new, emerging, and complementary technologies, including bioinformatics, simulations at the cellular and organ level, synthesis route prediction, proteomics, and prodrug approaches. The book's accompanying CD-ROM, a special feature, offers graphics of the molecular structures and dynamic reactions discussed in the book as well as demos from computational drug design software companies. Computational Drug Design is ideal for both students and professionals in drug design, helping them choose and take full advantage of the best computational tools available. Note: CD-ROM/DVD and other supplementary materials are not included as part of eBook file.

Structure-based Design of Drugs and Other Bioactive Molecules

Structure-based Design of Drugs and Other Bioactive Molecules
Author: Arun K. Ghosh
Publisher: John Wiley & Sons
Total Pages: 474
Release: 2014-08-11
Genre: Medical
ISBN: 3527333657

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Drug design is a complex, challenging and innovative research area. Structure-based molecular design has transformed the drug discovery approach in modern medicine. Traditionally, focus has been placed on computational, structural or synthetic methods only in isolation. This one-of-akind guide integrates all three skill sets for a complete picture of contemporary structure-based design. This practical approach provides the tools to develop a high-affinity ligand with drug-like properties for a given drug target for which a high-resolution structure exists. The authors use numerous examples of recently developed drugs to present "best practice" methods in structurebased drug design with both newcomers and practicing researchers in mind. By way of a carefully balanced mix of theoretical background and case studies from medicinal chemistry applications, readers will quickly and efficiently master the basic skills of successful drug design. This book is aimed at new and active medicinal chemists, biochemists, pharmacologists, natural product chemists and those working in drug discovery in the pharmaceutical industry. It is highly recommended as a desk reference to guide students in medicinal and chemical sciences as well as to aid researchers engaged in drug design today.

A Practical Guide to Rational Drug Design

A Practical Guide to Rational Drug Design
Author: Sun Hongmao
Publisher: Woodhead Publishing
Total Pages: 293
Release: 2015-10-05
Genre: Medical
ISBN: 0081001053

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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

Physico-chemical and Computational Approaches to Drug Discovery

Physico-chemical and Computational Approaches to Drug Discovery
Author: Javier Luque
Publisher: Royal Society of Chemistry
Total Pages: 443
Release: 2012
Genre: Medical
ISBN: 1849733538

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This title covers a wide range of topics relevant to the development of drugs. It provides a comprehensive description of the major methodological strategies available for rational drug discovery.

The Handbook of Medicinal Chemistry

The Handbook of Medicinal Chemistry
Author: Andrew Davis
Publisher: Royal Society of Chemistry
Total Pages: 789
Release: 2015-07-07
Genre: Science
ISBN: 1782621830

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Drug discovery is a constantly developing and expanding area of research. Developed to provide a comprehensive guide, the Handbook of Medicinal Chemistry covers the past, present and future of the entire drug development process. Highlighting the recent successes and failures in drug discovery, the book helps readers to understand the factors governing modern drug discovery from the initial concept through to a marketed medicine. With chapters covering a wide range of topics from drug discovery processes and optimization, development of synthetic routes, pharmaceutical properties and computational biology, the handbook aims to enable medicinal chemists to apply their academic understanding to every aspect of drug discovery. Each chapter includes expert advice to not only provide a rigorous understanding of the principles being discussed, but to provide useful hints and tips gained from within the pharmaceutical industry. This expertise, combined with project case studies, highlighting and discussing all areas of successful projects, make this an essential handbook for all those involved in pharmaceutical development.

Drug Design Strategies

Drug Design Strategies
Author: David J. Livingstone
Publisher: Royal Society of Chemistry
Total Pages: 517
Release: 2012
Genre: Medical
ISBN: 1849731667

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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.

Fundamentals of Medicinal Chemistry and Drug Metabolism

Fundamentals of Medicinal Chemistry and Drug Metabolism
Author: M. O. Faruk Khan
Publisher: Bentham Science Publishers
Total Pages: 349
Release: 2018-06-01
Genre: Medical
ISBN: 1681086875

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The primary objective of this 4-volume book series is to educate PharmD students on the subject of medicinal chemistry. The book set serves as a reference guide to pharmacists on aspects of chemical basis of drug action. This first volume of the series is comprised of 8 chapters focusing on basic background information about medicinal chemistry. It takes a succinct and conceptual approach to introducing important fundamental concepts required for a clear understanding of various facets of pharmacotherapeutic agents, drug metabolism and important biosynthetic pathways that are relevant to drug action. Notable topics covered in this first volume include the scope and importance of medicinal chemistry in pharmacy education, a comprehensive discussion of the organic functional groups present in drugs, and information about four major types of biomolecules (proteins, carbohydrates, lipids, nucleic acids) and key heterocyclic ring systems. The concepts of acid-base chemistry and salt formation, and their applications to the drug action and design follow thereafter. These include concepts of solubility and lipid-water partition coefficient (LWPC), isosterism, stereochemical properties, mechanisms of drug action, drug receptor interactions critical for pharmacological responses of drugs, and much more. Students and teachers will be able to integrate the knowledge presented in the book and apply medicinal chemistry concepts to understand the pharmacodynamics and pharmacokinetics of therapeutic agents in the body.

Drug Discovery and Development, Volume 1

Drug Discovery and Development, Volume 1
Author: Mukund S. Chorghade
Publisher: John Wiley & Sons
Total Pages: 478
Release: 2006-07-18
Genre: Science
ISBN: 047178009X

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From first principles to real-world applications -- here is the first comprehensive guide to drug discovery and development Modern drug discovery and development require the collaborative efforts of specialists in a broadarray of scientific, technical, and business disciplines--from biochemistry to molecular biology, organic chemistry to medicinal chemistry, pharmacology to marketing. Yet surprisingly, until now, there were no authoritative references offering a complete, fully integrated picture of the process. The only comprehensive guide of its kind, this groundbreaking two-volume resource provides an overview of the entire sequence of operations involved in drug discovery and development--from initial conceptualization to commercialization to clinicians and medical practitioners. Volume 1: Drug Discovery describes all the steps in the discovery process, including conceptualizing a drug, creating a library of candidates for testing, screening candidates for in vitro and in vivo activity, conducting and analyzing the results of clinical trials, and modifying a drug as necessary. Volume 2: Drug Development delves into the nitty-gritty details of optimizing the synthetic route, drug manufacturing, outsourcing, and marketing--including drug coloring and delivery methods. Featuring contributions from a world-class team of experts, Drug Discovery and Development: * Features fascinating case studies, including the discovery and development of erythromycin analogs, Tagamet, and Ultiva (remifentanil) * Discusses the discovery of medications for bacterial infections, Parkinson's disease, psoriasis, peptic ulcers, atopic dermatitis, asthma, and cancer * Includes chapters on combinatorial chemistry, molecular biology-based drug discovery, genomics, and chemogenomics Drug Discovery and Development is an indispensable working resource for industrialchemists, biologists, biochemists, and executives who work in the pharmaceutical industry.