Atypical Elements in Drug Design
Atypical Elements in Drug Design

Author: Jacob Schwarz

Publisher: Springer

Published: 2016-04-29

Total Pages: 162

ISBN-13: 3319277421

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Medicinal chemistry is both science and art. The science of medicinal chemistry offers mankind one of its best hopes for improving the quality of life. The art of medicinal chemistry continues to challenge its practitioners with the need for both intuition and experience to discover new drugs. Hence sharing the experience of drug research is uniquely beneficial to the field of medicinal chemistry. Drug research requires interdisciplinary team-work at the interface between chemistry, biology and medicine. Therefore, the topic-related series Topics in Medicinal Chemistry covers all relevant aspects of drug research, e.g. pathobiochemistry of diseases, identification and validation of (emerging) drug targets, structural biology, drugability of targets, drug design approaches, chemogenomics, synthetic chemistry including combinatorial methods, bioorganic chemistry, natural compounds, high-throughput screening, pharmacological in vitro and in vivo investigations, drug-receptor interactions on the molecular level, structure-activity relationships, drug absorption, distribution, metabolism, elimination, toxicology and pharmacogenomics. In general, special volumes are edited by well known guest editors.

Tactics in Contemporary Drug Design
Tactics in Contemporary Drug Design

Author: Nicholas A. Meanwell

Publisher: Springer

Published: 2014-12-08

Total Pages: 400

ISBN-13: 364255041X

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Medicinal chemistry is both science and art. The science of medicinal chemistry offers mankind one of its best hopes for improving the quality of life. The art of medicinal chemistry continues to challenge its practitioners with the need for both intuition and experience to discover new drugs. Hence sharing the experience of drug research is uniquely beneficial to the field of medicinal chemistry. Drug research requires interdisciplinary team-work at the interface between chemistry, biology and medicine. Therefore, the topic-related series Topics in Medicinal Chemistry covers all relevant aspects of drug research, e.g. pathobiochemistry of diseases, identification and validation of (emerging) drug targets, structural biology, drugability of targets, drug design approaches, chemogenomics, synthetic chemistry including combinatorial methods, bioorganic chemistry, natural compounds, high-throughput screening, pharmacological in vitro and in vivo investigations, drug-receptor interactions on the molecular level, structure-activity relationships, drug absorption, distribution, metabolism, elimination, toxicology and pharmacogenomics. In general, special volumes are edited by well known guest editors.

An Introduction to Drug Design
An Introduction to Drug Design

Author: S. N. Pandeya

Publisher: New Age International

Published: 1997

Total Pages: 228

ISBN-13: 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.

Introduction to the Principles of Drug Design
Introduction to the Principles of Drug Design

Author: H. J. Smith

Publisher: Elsevier

Published: 2016-06-14

Total Pages: 307

ISBN-13: 1483183505

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Introduction to the Principles of Drug Design provides a framework of fundamental drug design and principles into which drugs following on developments may be fitted. This book presents the rationales behind the design of drugs. Organized into nine chapters, this book begins with an overview of how the body handles a drug in terms of absorption, metabolism, distribution, and excretion. This text then examines the critical drug activity at the receptor site, which is usually related to blood and other distribution fluid levels. Other chapters consider the factors involved in binding a drug, metabolite, or substrate to a receptor. The final chapter deals with the design of chemotherapeutic agent for clinical use in the treatment of human infections. This book is intended for use in undergraduate pharmacy courses in medicinal chemistry and as an aid in similar courses in biochemistry and pharmacology. Graduates in chemistry just entering the pharmaceutical industry will also find this book useful.

Drug Design
Drug Design

Author: Kenneth M. Merz, Jr

Publisher: Cambridge University Press

Published: 2010-05-31

Total Pages: 289

ISBN-13: 1107717752

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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 have contributed to this book, which is illustrated with more than 200 images. This is the only book to cover the subject of structure and ligand-based drug design, and it provides the most up-to-date information on a wide range of topics for the practising computational chemist, medicinal chemist, or structural biologist. Professor Kenneth Merz has been selected as the recipient of the 2010 ACS Award for Computers in Chemical & Pharmaceutical Research that recognizes the advances he has made in the use of quantum mechanics to solve biological and drug discovery problems.

Textbook of Drug Design and Discovery
Textbook of Drug Design and Discovery

Author: H. John Smith

Publisher: CRC Press

Published: 2002-08-01

Total Pages: 666

ISBN-13: 0203301374

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Building on the success of the previous editions, Textbook of Drug Design and Discovery has been thoroughly revised and updated to provide a complete source of information on all facets of drug design and discovery for students of chemistry, pharmacy, pharmacology, biochemistry, and medicine. The book follows drug design from the initial lea

Molecular Diversity in Drug Design
Molecular Diversity in Drug Design

Author: P.M. Dean

Publisher: Springer Science & Business Media

Published: 2007-05-08

Total Pages: 261

ISBN-13: 0306468735

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High-throughput screening and combinatorial chemistry are two of the most potent weapons ever to have been used in the discovery of new drugs. At a stroke, it seems to be possible to synthesise more molecules in a month than have previously been made in the whole of the distinguished history of organic chemistry, Furthermore, all the molecules can be screened in the same short period. However, like any weapons of immense power, these techniques must be used with care, to achieve maximum impact. The costs of implementing and running high-throughput screening and combinatorial chemistry are high, as large dedicated facilities must be built and staffed. In addition, the sheer number of chemical leads generated may overwhelm the lead optimisation teams in a hail of friendly fire. Mother nature has not entirely surrendered, as the number of building blocks that could be used to build libraries would require more atoms than there are in the universe. In addition, the progress made by the Human Genome Project has uncovered many proteins with different functions but related binding sites, creating issues of selectivity. Advances in the new field of pharmacogenomics will produce more of these challenges. There is a real need to make hi- throughput screening and combinatorial chemistry into 'smart' weapons, so that their power is not dissipated. That is the challenge for modellers, computational chemists, cheminformaticians and IT experts. In this book, we have broken down this grand challenge into key tasks.

Drug Discovery with Privileged Building Blocks
Drug Discovery with Privileged Building Blocks

Author: Jie Jack Li

Publisher:

Published: 2021

Total Pages: 424

ISBN-13: 9781032041681

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Drug Discovery with Privileged Building Blocks traces back PharmaBlockʹs founding philosophy of designing privileged building blocks. High-quality building blocks are crucial not only to molecules' biological activities but also to ADMET properties, which eventually will impact the success rate of drug discovery projects. A thorough study of how building blocks perform in drug molecules and regular analysis of new building block structures in the latest researches has proven to be a fruitful strategy to generate novel building blocks. Using this strategy, PharmaBlock has supplied the drug industry with a great number of building blocks, which are increasingly being adopted by drug hunters, and these are identified in this book. Each chapter may be read and studied without learning the previous chapters. This book will be a good starting point for novice medicinal chemists and veteran medicinal chemists find it useful as well.

Textbook of Drug Design and Discovery, Fifth Edition
Textbook of Drug Design and Discovery, Fifth Edition

Author: Kristian Stromgaard

Publisher: CRC Press

Published: 2016-08-19

Total Pages: 631

ISBN-13: 1315354543

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Building on the success of the previous editions, the Textbook of Drug Design and Discovery, Fifth Edition, has been thoroughly revised and updated to provide a complete source of information on all facets of drug design and discovery for students of chemistry, pharmacy, pharmacology, biochemistry, and medicine. The information is presented in an up-to-date review form with an underlying and fundamental focus on the educational aspects. Beginning with an introduction to drug design and discovery, the first eight chapters cover molecular recognition, ligand-based drug design, and biostructure-based drug design. The authors also discuss drug-like properties and decision making in medicinal chemistry, chemical biology, natural products in drug discovery, and in vivo imaging in drug discovery. The middle six chapters provide an overview of peptide and protein drug design, prodrugs in drug design and development, and enzyme inhibitors. The authors also go through receptors (structure, function, and pharmacology), ion channels (structure and function), and neurotransmitter transporters (structure, function, and drug binding). The following chapters address important neurotransmitter systems, GABA and glutamic acid receptors and transporter ligands, acetylcholine, histamine, dopamine and serotonin, and opioid and cannabinoid receptors. The book concludes with an examination of neglected diseases, anticancer agents, tyrosine kinase receptors, and antibiotics.