Bioisosteres In Medicinal Chemistry

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Bioisosteres in Medicinal Chemistry

Author : Nathan Brown
Publisher : John Wiley & Sons
ISBN 13 : 3527654321
Total Pages : 249 pages
Book Rating : 4.5/5 (276 download)

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Book Synopsis Bioisosteres in Medicinal Chemistry by : Nathan Brown

Download or read book Bioisosteres in Medicinal Chemistry written by Nathan Brown and published by John Wiley & Sons. This book was released on 2012-06-18 with total page 249 pages. Available in PDF, EPUB and Kindle. Book excerpt: Written with the practicing medicinal chemist in mind, this is the first modern handbook to systematically address the topic of bioisosterism. As such, it provides a ready reference on the principles and methods of bioisosteric replacement as a key tool in preclinical drug development. The first part provides an overview of bioisosterism, classical bioisosteres and typical molecular interactions that need to be considered, while the second part describes a number of molecular databases as sources of bioisosteric identification and rationalization. The third part covers the four key methodologies for bioisostere identification and replacement: physicochemical properties, topology, shape, and overlays of protein-ligand crystal structures. In the final part, several real-world examples of bioisosterism in drug discovery projects are discussed. With its detailed descriptions of databases, methods and real-life case studies, this is tailor-made for busy industrial researchers with little time for reading, while remaining easily accessible to novice drug developers due to its systematic structure and introductory section.

Bioisosteres in Medicinal Chemistry

Author : Nathan Brown
Publisher : John Wiley & Sons
ISBN 13 : 9783527330157
Total Pages : 0 pages
Book Rating : 4.3/5 (31 download)

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Book Synopsis Bioisosteres in Medicinal Chemistry by : Nathan Brown

Download or read book Bioisosteres in Medicinal Chemistry written by Nathan Brown and published by John Wiley & Sons. This book was released on 2012-10-15 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: Written with the practicing medicinal chemist in mind, this is the first modern handbook to systematically address the topic of bioisosterism. As such, it provides a ready reference on the principles and methods of bioisosteric replacement as a key tool in preclinical drug development. The first part provides an overview of bioisosterism, classical bioisosteres and typical molecular interactions that need to be considered, while the second part describes a number of molecular databases as sources of bioisosteric identification and rationalization. The third part covers the four key methodologies for bioisostere identification and replacement: physicochemical properties, topology, shape, and overlays of protein-ligand crystal structures. In the final part, several real-world examples of bioisosterism in drug discovery projects are discussed. With its detailed descriptions of databases, methods and real-life case studies, this is tailor-made for busy industrial researchers with little time for reading, while remaining easily accessible to novice drug developers due to its systematic structure and introductory section.

Peptidomimetics in Organic and Medicinal Chemistry

Author : Antonio Guarna
Publisher : John Wiley & Sons
ISBN 13 : 1118683145
Total Pages : 312 pages
Book Rating : 4.1/5 (186 download)

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Book Synopsis Peptidomimetics in Organic and Medicinal Chemistry by : Antonio Guarna

Download or read book Peptidomimetics in Organic and Medicinal Chemistry written by Antonio Guarna and published by John Wiley & Sons. This book was released on 2014-03-14 with total page 312 pages. Available in PDF, EPUB and Kindle. Book excerpt: A peptidomimetic is a small protein-like chain designed to mimic a peptide with adjusted molecular properties such as enhanced stability or biological activity. It is a very powerful approach for the generation of small-molecule-based drugs as enzyme inhibitors or receptor ligands. Peptidomimetics in Organic and Medicinal Chemistry outlines the concepts and synthetic strategies underlying the building of bioactive compounds of a peptidomimetic nature. Topics covered include the chemistry of unnatural amino acids, peptide- and scaffold-based peptidomimetics, amino acid-side chain isosteres, backbone isosteres, dipeptide isosteres, beta-turn peptidomimetics, proline-mimetics as turn inducers, cyclic scaffolds, amino acid surrogates, and scaffolds for combinatorial chemistry of peptidomimetics. Case studies in the hit-to-lead process, such as the development of integrin ligands and thrombin inhibitors, illustrate the successful application of peptidomimetics in drug discovery.

Advances in Triazole Chemistry

Author : Tahir Farooq
Publisher : Elsevier
ISBN 13 : 0128171146
Total Pages : 266 pages
Book Rating : 4.1/5 (281 download)

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Book Synopsis Advances in Triazole Chemistry by : Tahir Farooq

Download or read book Advances in Triazole Chemistry written by Tahir Farooq and published by Elsevier. This book was released on 2020-11-28 with total page 266 pages. Available in PDF, EPUB and Kindle. Book excerpt: Advances in Triazole Chemistry reviews the ever-widening scope of triazole chemistry. Triazole is an exceptional structural motif with a range of applications across scientific disciplines, including materials science, organocatalysis, agrochemicals, and medicinal chemistry. These many applications of different classes of triazoles have promoted the development of a range of synthetic strategies over the past few years, which are presented here along with recent and ecofriendly methods for the synthesis of all types of triazoles. The book also reviews the recent notable applications in chemical ligation, peptidomimetics, carbohydrate chemistry, nanotechnology, and polymer and materials science. This comprehensive resource is ideal for researchers using triazoles in various disciplines, as well as chemists working in the pharmaceutical, polymer, and agrochemical industries. Includes coverage of the role triazoles play in DNA synthesis Features comprehensive information on 1,2,3-triazoles and 1,2,4-triazoles and their subclasses, synthesis, and applications Serves as an ideal reference for researchers and chemists interested in using triazole chemistry for functionalization, modification, and development of target products

Scaffold Hopping in Medicinal Chemistry

Author : Nathan Brown
Publisher : John Wiley & Sons
ISBN 13 : 3527665161
Total Pages : 440 pages
Book Rating : 4.5/5 (276 download)

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Book Synopsis Scaffold Hopping in Medicinal Chemistry by : Nathan Brown

Download or read book Scaffold Hopping in Medicinal Chemistry written by Nathan Brown and published by John Wiley & Sons. This book was released on 2013-11-06 with total page 440 pages. Available in PDF, EPUB and Kindle. Book excerpt: This first systematic treatment of the concept and practice of scaffold hopping shows the tricks of the trade and provides invaluable guidance for the reader's own projects. The first section serves as an introduction to the topic by describing the concept of scaffolds, their discovery, diversity and representation, and their importance for finding new chemical entities. The following part describes the most common tools and methods for scaffold hopping, whether topological, shape-based or structure-based. Methods such as CATS, Feature Trees, Feature Point Pharmacophores (FEPOPS), and SkelGen are discussed among many others. The final part contains three fully documented real-world examples of successful drug development projects by scaffold hopping that illustrate the benefits of the approach for medicinal chemistry. While most of the case studies are taken from medicinal chemistry, chemical and structural biologists will also benefit greatly from the insights presented here.

Metabolism, Pharmacokinetics, and Toxicity of Functional Groups

Author : Dennis A. Smith
Publisher : Royal Society of Chemistry
ISBN 13 : 1849730164
Total Pages : 545 pages
Book Rating : 4.8/5 (497 download)

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Book Synopsis Metabolism, Pharmacokinetics, and Toxicity of Functional Groups by : Dennis A. Smith

Download or read book Metabolism, Pharmacokinetics, and Toxicity of Functional Groups written by Dennis A. Smith and published by Royal Society of Chemistry. This book was released on 2010 with total page 545 pages. Available in PDF, EPUB and Kindle. Book excerpt: Written by medicinal chemists and ADMET scientists with a combined experience of over 300 years this aid to discovering drugs provides detailed coverage on absorption, distribution, metabolism, excretion and toxicology issues associated with new drugs.

In Silico Medicinal Chemistry

Author : Nathan Brown
Publisher : Royal Society of Chemistry
ISBN 13 : 1782622608
Total Pages : 232 pages
Book Rating : 4.7/5 (826 download)

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Book Synopsis In Silico Medicinal Chemistry by : Nathan Brown

Download or read book In Silico Medicinal Chemistry written by Nathan Brown and published by Royal Society of Chemistry. This book was released on 2015-10-30 with total page 232 pages. Available in PDF, EPUB and Kindle. Book excerpt: Covering computational tools in drug design using techniques from chemoinformatics, molecular modelling and computational chemistry, this book explores these methodologies and applications of in silico medicinal chemistry. The first part of the book covers molecular representation methods in computing in terms of chemical structure, together with guides on common structure file formats. The second part examines commonly used classes of molecular descriptors. The third part provides a guide to statistical learning methods using chemical structure data, covering topics such as similarity searching, clustering and diversity selection, virtual library design, ligand docking and de novo design. The final part of the book summarises the application of methods to the different stages of drug discovery, from target ID, through hit finding and hit-to-lead, to lead optimisation. This book is a practical introduction to the subject for researchers new to the fields of chemoinformatics, molecular modelling and computational chemistry.

Basic Concepts in Medicinal Chemistry

Author : Marc Harrold
Publisher : ASHP
ISBN 13 : 1585283649
Total Pages : 405 pages
Book Rating : 4.5/5 (852 download)

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Book Synopsis Basic Concepts in Medicinal Chemistry by : Marc Harrold

Download or read book Basic Concepts in Medicinal Chemistry written by Marc Harrold and published by ASHP. This book was released on 2013-01-18 with total page 405 pages. Available in PDF, EPUB and Kindle. Book excerpt: Medicinal chemistry is a complex topic. Written in an easy to follow and conversational style, Basic Concepts in Medicinal Chemistry focuses on the fundamental concepts that govern the discipline of medicinal chemistry as well as how and why these concepts are essential to therapeutic decisions. The book emphasizes functional group analysis and the basics of drug structure evaluation. In a systematic fashion, learn how to identify and evaluate the functional groups that comprise the structure of a drug molecule and their influences on solubility, absorption, acid/base character, binding interactions, and stereochemical orientation. Relevant Phase I and Phase II metabolic transformations are also discussed for each functional group. Key features include: • Discussions on the roles and characteristics of organic functional groups, including the identification of acidic and basic functional groups. • How to solve problems involving pH, pKa, and ionization; salts and solubility; drug binding interactions; stereochemistry; and drug metabolism. • Numerous examples and expanded discussions for complex concepts. • Therapeutic examples that link the importance of medicinal chemistry to pharmacy and healthcare practice. • An overview of structure activity relationships (SARs) and concepts that govern drug design. • Review questions and practice problems at the end of each chapter that allow readers to test their understanding, with the answers provided in an appendix. Whether you are just starting your education toward a career in a healthcare field or need to brush up on your organic chemistry concepts, this book is here to help you navigate medicinal chemistry. About the Authors Marc W. Harrold, BS, Pharm, PhD, is Professor of Medicinal Chemistry at the Mylan School of Pharmacy, Duquesne University, Pittsburgh, PA. Professor Harrold is the 2011 winner of the Omicron Delta Kappa "Teacher of the Year" award at Duquesne University. He is also the two-time winner of the "TOPS" (Teacher of the Pharmacy School) award at the Mylan School of Pharmacy. Robin M. Zavod, PhD, is Associate Professor for Pharmaceutical Sciences at the Chicago College of Pharmacy, Midwestern University, Downers Grove, IL, where she was awarded the 2012 Outstanding Faculty of the Year award. Professor Zavod also serves on the adjunct faculty for Elmhurst College and the Illinois Institute of Technology. She currently serves as Editor-in-Chief of the journal Currents in Pharmacy Teaching and Learning.

Fundamentals of Medicinal Chemistry

Author : Gareth Thomas
Publisher : John Wiley & Sons
ISBN 13 : 0470871695
Total Pages : 302 pages
Book Rating : 4.4/5 (78 download)

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Book Synopsis Fundamentals of Medicinal Chemistry by : Gareth Thomas

Download or read book Fundamentals of Medicinal Chemistry written by Gareth Thomas and published by John Wiley & Sons. This book was released on 2004-04-20 with total page 302 pages. Available in PDF, EPUB and Kindle. Book excerpt: Provides a concise introduction to the chemistry of therapeutically active compounds, written in a readable and accessible style. The title begins by reviewing the structures and nomenclature of the more common classes of naturally occurring compounds found in biological organisms. An overview of medicinal chemistry is followed by chapters covering the discovery and design of drugs, pharmacokinetics and drug metabolism, The book concludes with a chapter on organic synthesis, followed by a brief look at drug development from the research stage through to marketing the final product. The text assumes little in the way of prior biological knowledge. relevant biology is included through biological topics, examples and the Appendices. Incorporates summary sections, examples, applications and problems Each chapter contains an additional summary section and solutions to the questions are provided at the end of the text Invaluable for undergraduates studying within the chemical, pharmaceutical and life sciences.

Tactics in Contemporary Drug Design

Author : Nicholas A. Meanwell
Publisher : Springer
ISBN 13 : 364255041X
Total Pages : 394 pages
Book Rating : 4.6/5 (425 download)

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Book Synopsis Tactics in Contemporary Drug Design by : Nicholas A. Meanwell

Download or read book Tactics in Contemporary Drug Design written by Nicholas A. Meanwell and published by Springer. This book was released on 2014-12-08 with total page 394 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Burger's Medicinal Chemistry, Drug Discovery and Development, 8 Volume Set

Author :
Publisher : John Wiley & Sons
ISBN 13 : 111953030X
Total Pages : 6057 pages
Book Rating : 4.1/5 (195 download)

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Book Synopsis Burger's Medicinal Chemistry, Drug Discovery and Development, 8 Volume Set by :

Download or read book Burger's Medicinal Chemistry, Drug Discovery and Development, 8 Volume Set written by and published by John Wiley & Sons. This book was released on 2021-04-20 with total page 6057 pages. Available in PDF, EPUB and Kindle. Book excerpt: Burger’s Medicinal Chemistry, Drug Discovery and Development Explore the freshly updated flagship reference for medicinal chemists and pharmaceutical professionals The newly revised eighth edition of the eight-volume Burger’s Medicinal Chemistry, Drug Discovery and Development is the latest installment in this celebrated series covering the entirety of the drug development and discovery process. With the addition of expert editors in each subject area, this eight-volume set adds 35 chapters to the extensive existing chapters. New additions include analyses of opioid addiction treatments, antibody and gene therapy for cancer, blood-brain barrier, HIV treatments, and industrial-academic collaboration structures. Along with the incorporation of practical material on drug hunting, the set features sections on drug discovery, drug development, cardiovascular diseases, metabolic diseases, immunology, cancer, anti-Infectives, and CNS disorders. The text continues the legacy of previous volumes in the series by providing recognized, renowned, authoritative, and comprehensive information in the area of drug discovery and development while adding cutting-edge new material on issues like the use of artificial intelligence in medicinal chemistry. Included: Volume 1: Methods in Drug Discovery, edited by Kent D. Stewart Volume 2: Discovering Lead Molecules, edited by Kent D. Stewart Volume 3: Drug Development, edited by Ramnarayan S. Randad and Michael Myers Volume 4: Cardiovascular, Endocrine, and Metabolic Diseases, edited by Scott D. Edmondson Volume 5: Pulmonary, Bone, Immunology, Vitamins, and Autocoid Therapeutic Agents, edited by Bryan H. Norman Volume 6: Cancer, edited by Barry Gold and Donna M. Huryn Volume 7: Anti-Infectives, edited by Roland E. Dolle Volume 8: CNS Disorders, edited by Richard A. Glennon Perfect for research departments in the pharmaceutical and biotechnology industries, Burger’s Medicinal Chemistry, Drug Discovery and Development can be used by graduate students seeking a one-stop reference for drug development and discovery and deserves its place in the libraries of biomedical research institutes, medical, pharmaceutical, and veterinary schools.

Molecular Biology in Medicinal Chemistry

Author : Theodor Dingermann
Publisher : John Wiley & Sons
ISBN 13 : 3527605185
Total Pages : 435 pages
Book Rating : 4.5/5 (276 download)

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Book Synopsis Molecular Biology in Medicinal Chemistry by : Theodor Dingermann

Download or read book Molecular Biology in Medicinal Chemistry written by Theodor Dingermann and published by John Wiley & Sons. This book was released on 2006-03-06 with total page 435 pages. Available in PDF, EPUB and Kindle. Book excerpt: This readily comprehensible book explains the identification of molecular targets via cellular assays, reporter genes or transgenic models, as well as surveying recent advances in the synthesis, separation and analysis of drugs. A special section is devoted to molecular genetics methods. With its examination of these novel methods and generous practical advice, this is essential reading for all pharmaceutical chemists, molecular biologists and medical researchers using molecular methods to study drugs and their action.

Medicinal Chemistry for Practitioners

Author : Jie Jack Li
Publisher : John Wiley & Sons
ISBN 13 : 1119607302
Total Pages : 416 pages
Book Rating : 4.1/5 (196 download)

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Book Synopsis Medicinal Chemistry for Practitioners by : Jie Jack Li

Download or read book Medicinal Chemistry for Practitioners written by Jie Jack Li and published by John Wiley & Sons. This book was released on 2020-06-29 with total page 416 pages. Available in PDF, EPUB and Kindle. Book excerpt: Presenting both a panoramic introduction to the essential disciplines of drug discovery for novice medicinal chemists as well as a useful reference for veteran drug hunters, this book summarizes the state-of-the-art of medicinal chemistry. It covers key drug targets including enzymes, receptors, and ion channels, and hit and lead discovery. The book hen surveys a drug's pharmacokinetics and toxicity, with a solid chapter covering fundamental bioisosteres as a guide to structure-activity relationship investigations.

Quantum Medicinal Chemistry

Author : Paolo Carloni
Publisher : John Wiley & Sons
ISBN 13 : 3527605304
Total Pages : 294 pages
Book Rating : 4.5/5 (276 download)

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Book Synopsis Quantum Medicinal Chemistry by : Paolo Carloni

Download or read book Quantum Medicinal Chemistry written by Paolo Carloni and published by John Wiley & Sons. This book was released on 2006-03-06 with total page 294 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational methods are transforming the work of chemical and pharmaceutical laboratories. Increasingly faster and more exact simulation algorithms have made quantum chemistry a valuable tool in the search for active substances. Written by a team of leading international quantum chemists, this book is aimed at both beginners as well as experienced users of quantum chemical methods. All commonly used quantum chemical methods are treated here, including Density Functional Theory, quantum and molecular mechanical approaches. Numerous examples illustrate the use of these methods for dealing with problems in pharmaceutical practice, whether the study of inhibitor binding, identifying the surface load of active substances or deriving molecular descriptors using quantum chemical tools. For anyone striving to stay ahead in this rapidly evolving field.

An Introduction to Medicinal Chemistry

Author : Graham L. Patrick
Publisher : Oxford University Press
ISBN 13 : 0199697396
Total Pages : 814 pages
Book Rating : 4.1/5 (996 download)

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Book Synopsis An Introduction to Medicinal Chemistry by : Graham L. Patrick

Download or read book An Introduction to Medicinal Chemistry written by Graham L. Patrick and published by Oxford University Press. This book was released on 2013-01-10 with total page 814 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume provides an introduction to medicinal chemistry. It covers basic principles and background, and describes the general tactics and strategies involved in developing an effective drug.

Computational Drug Design

Author : D. C. Young
Publisher : John Wiley & Sons
ISBN 13 : 9780470451847
Total Pages : 344 pages
Book Rating : 4.4/5 (518 download)

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Book Synopsis Computational Drug Design by : D. C. Young

Download or read book Computational Drug Design written by D. C. Young and published by John Wiley & Sons. This book was released on 2009-01-28 with total page 344 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Drug Discovery with Privileged Building Blocks

Author : Jie Jack Li
Publisher :
ISBN 13 : 9781032041735
Total Pages : 424 pages
Book Rating : 4.0/5 (417 download)

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Book Synopsis Drug Discovery with Privileged Building Blocks by : Jie Jack Li

Download or read book Drug Discovery with Privileged Building Blocks written by Jie Jack Li and published by . This book was released on 2021 with total page 424 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.