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Chemical Sciences In Early Drug Discovery

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The Evolution of Medicinal Chemistry

The Evolution of Medicinal Chemistry Book
Author : Pierfausto Seneci
Publisher : Unknown
Release : 2017-10-01
ISBN : 9780080994208
Language : En, Es, Fr & De

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Book Description :

Chemical Sciences in Early Drug Discovery: Medicinal Chemistry 2.0 describes how new technologies and approaches can be used to improve the probability of success in fulfilling the perennial goal of finding and developing new drugs. Drawing on the author's extensive experience consulting and teaching in medicinal chemistry, the book outlines ways in which medicinal chemistry is widening its remit to meet modern demands, and how modern technologies and approaches are facilitating this growth into new fields. Supported by examples throughout, the book is a practical resource for organic-medicinal chemists, biological chemists, and pharmacologists involved in drug discovery. Reviews the key application of chemistry in drug discovery for both medicinal and non-medicinal chemists, clarifying and explaining the role of medicinal chemistry in supporting the modern drug discovery pipeline Shows how a wider Medicinal Chemistry view is essential for anyone in an integrated drug discovery project looking to reduce costs and save time Provides the critical success factors needed to successfully identify hits from both biological and chemical perspectives

Chemical Sciences in Early Drug Discovery

Chemical Sciences in Early Drug Discovery Book
Author : Pierfausto Seneci
Publisher : Elsevier
Release : 2018-06-05
ISBN : 008099928X
Language : En, Es, Fr & De

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Book Description :

Chemical Sciences in Early Drug Discovery: Medicinal Chemistry 2.0 describes how new technologies and approaches can be used to improve the probability of success in fulfilling the perennial goal of finding and developing new drugs. Drawing on the author's extensive experience consulting and teaching in medicinal chemistry, the book outlines ways in which medicinal chemistry is widening its reach to meet modern demands, and how modern technologies and approaches are facilitating this growth into new fields. Supported by examples throughout, the book is a practical resource for organic-medicinal chemists, biological chemists and pharmacologists involved in drug discovery. Reviews the key application of chemistry in drug discovery for both medicinal and non-medicinal chemists, clarifying and explaining the role of medicinal chemistry in supporting the modern drug discovery pipeline Shows how a wider medicinal chemistry view is essential for anyone in an integrated drug discovery project looking to reduce costs and save time Provides the critical success factors needed to successfully identify hits from both biological and chemical perspectives

Small Molecule Drug Discovery

Small Molecule Drug Discovery Book
Author : Andrea Trabocchi,Elena Lenci
Publisher : Elsevier
Release : 2019-11-23
ISBN : 0128183500
Language : En, Es, Fr & De

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Book Description :

Small Molecule Drug Discovery: Methods, Molecules and Applications presents the methods used to identify bioactive small molecules, synthetic strategies and techniques to produce novel chemical entities and small molecule libraries, chemoinformatics to characterize and enumerate chemical libraries, and screening methods, including biophysical techniques, virtual screening and phenotypic screening. The second part of the book gives an overview of privileged cyclic small molecules and major classes of natural product-derived small molecules, including carbohydrate-derived compounds, peptides and peptidomimetics, and alkaloid-inspired compounds. The last section comprises an exciting collection of selected case studies on drug discovery enabled by small molecules in the fields of cancer research, CNS diseases and infectious diseases. The discovery of novel molecular entities capable of specific interactions represents a significant challenge in early drug discovery. Small molecules are low molecular weight organic compounds that include natural products and metabolites, as well as drugs and other xenobiotics. When the biological target is well defined and understood, the rational design of small molecule ligands is possible. Alternatively, small molecule libraries are being used for unbiased assays for complex diseases where a target is unknown or multiple factors contribute to a disease pathology. Outlines modern concepts and synthetic strategies underlying the building of small molecules and their chemical libraries useful for drug discovery Provides modern biophysical methods to screening small molecule libraries, including high-throughput screening, small molecule microarrays, phenotypic screening and chemical genetics Presents the most advanced chemoinformatics tools to characterize the structural features of small molecule libraries in terms of chemical diversity and complexity, also including the application of virtual screening approaches Gives an overview of structural features and classification of natural product-derived small molecules, including carbohydrate derivatives, peptides and peptidomimetics, and alkaloid-inspired small molecules

Cheminformatics and its Applications

Cheminformatics and its Applications Book
Author : Amalia Stefaniu,Azhar Rasul,Ghulam Hussain
Publisher : BoD – Books on Demand
Release : 2020-07-15
ISBN : 1838800670
Language : En, Es, Fr & De

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Book Description :

Cheminformatics has emerged as an applied branch of Chemistry that involves multidisciplinary knowledge, connecting related fields such as chemistry, computer science, biology, pharmacology, physics, and mathematical statistics.The book is organized in two sections, including multiple aspects related to advances in the development of informatic tools and their specific use in compound structure databases with various applications in life sciences, mainly in medicinal chemistry, for identification and development of new therapeutically active molecules. The book covers aspects related to genomic analysis, semantic similarity, chemometrics, pattern recognition techniques, chemical reactivity prediction, drug-likeness assessment, bioavailability, biological target recognition, machine-based drug discovery and design. Results from various computational tools and methods are discussed in the context of new compound design and development, sharing promising opportunities, and perspectives.

Early Drug Development 2 Volume Set

Early Drug Development  2 Volume Set Book
Author : Fabrizio Giordanetto
Publisher : John Wiley & Sons
Release : 2018-12-10
ISBN : 3527341498
Language : En, Es, Fr & De

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Book Description :

This one-stop reference systematically covers key aspects in early drug development that are directly relevant to the discovery phase and are required for first-in-human studies. Its broad scope brings together critical knowledge from many disciplines, ranging from process technology to pharmacology to intellectual property issues. After introducing the overall early development workflow, the critical steps of early drug development are described in a sequential and enabling order: the availability of the drug substance and that of the drug product, the prediction of pharmacokinetics and -dynamics, as well as that of drug safety. The final section focuses on intellectual property aspects during early clinical development. The emphasis throughout is on recent case studies to exemplify salient points, resulting in an abundance of practice-oriented information that is usually not available from other sources. Aimed at medicinal chemists in industry as well as academia, this invaluable reference enables readers to understand and navigate the challenges in developing clinical candidate molecules that can be successfully used in phase one clinical trials.

High Throughput Analysis for Early Drug Discovery

High Throughput Analysis for Early Drug Discovery Book
Author : James Kyranos
Publisher : Elsevier
Release : 2004-09-18
ISBN : 0080472923
Language : En, Es, Fr & De

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Book Description :

High Throughput Analysis for Early Drug Discovery offers concise and unbiased presentations by synthetic and analytical chemists who have been involved in creating and moving the field of combinatorial chemistry into the academic and industrial mainstream. Since the synthetic method often dictates the appropriate types of analysis, each chapter or section begins with a description of the synthesis approach and its advantages. The description of various combinatorial and high-throughput parallel synthesis techniques provide a relevant point of entry for synthetic chemists who need to set up appropriate characterisation methods for his/her organisation. This is an invaluable resource for all organic and analytical chemists in the pharmaceutical, agrochemical, and biotechnology fields who are either involved in, or beginning to investigate combinatorial techniques to increase overall efficiency and productivity. First reference to focus on the analytical side of synthesis

Drug Target Selection and Validation

Drug Target Selection and Validation Book
Author : Marcus T. Scotti,Carolina L. Bellera
Publisher : Springer Nature
Release : 2022
ISBN : 3030958957
Language : En, Es, Fr & De

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Book Description :

The first book in the newly created book series, Computer-Aided Drug Discovery and Design, focuses on the computational aspects of early drug discovery, drug target identification, and validation. It revises current classical paradigms in target and phenotypic-based drug design with still ingrained approximations and concepts and discusses the research in the new network approach concept that include kinetic selectivity and metabolic analysis. Many often-overlooked approximations and concepts in drug discovery are fully covered. Drug Target Selection and Validation includes both introductory sections and research-based sections to be of use to both students and research scientists in drug discovery, design, kinetics and metabolic analysis. Pharmaceutical scientists, pharmaceutics, drug developers, pharmacologists, biomedical researchers in computer science, medicinal chemists, and precision medicine developers benefit from the information provided. The book concludes with a chapter on chemical and structural databases.

Health and Medicine

Health and Medicine Book
Author : National Research Council,Division on Earth and Life Studies,Board on Chemical Sciences and Technology,Committee on Challenges for the Chemical Sciences in the 21st Century,Organizing Committee for the Workshop on Health and Medicine
Publisher : National Academies Press
Release : 2004-03-02
ISBN : 0309087201
Language : En, Es, Fr & De

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Book Description :

The report assesses the current state of chemistry and chemical engineering within the context of drug discovery, disease diagnosis, and disease prevention. Also addressed are chemical and chemical engineering challenges in pharmaceutical synthesis, delivery, and manufacture.

Drug Discovery and Development E Book

Drug Discovery and Development   E Book Book
Author : Raymond G Hill
Publisher : Elsevier Health Sciences
Release : 2012-07-20
ISBN : 0702053163
Language : En, Es, Fr & De

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Book Description :

The modern pharmacopeia has enormous power to alleviate disease, and owes its existence almost entirely to the work of the pharmaceutical industry. This book provides an introduction to the way the industry goes about the discovery and development of new drugs. The first part gives a brief historical account from its origins in the mediaeval apothecaries’ trade, and discusses the changing understanding of what we mean by disease, and what therapy aims to achieve, as well as summarising case histories of the discovery and development of some important drugs. The second part focuses on the science and technology involved in the discovery process: the stages by which a promising new chemical entity is identified, from the starting point of a medical need and an idea for addressing it. A chapter on biopharmaceuticals, whose discovery and development tend to follow routes somewhat different from synthetic compounds, is included here, as well as accounts of patent issues that arise in the discovery phase, and a chapter on research management in this environment. The third section of the book deals with drug development: the work that has to be undertaken to turn the drug candidate that emerges from the discovery process into a product on the market. The definitive introduction to how a pharmaceutical company goes about its business of discovering and developing drugs. The second edition has a new editor: Professor Raymond Hill ● non-executive director of Addex Pharmaceuticals, Covagen and of Orexo AB ● Visiting Industrial Professor of Pharmacology in the University of Bristol ● Visiting Professor in the School of Medical and Health Sciences at the University of Surrey ● Visiting Professor in Physiology and Pharmacology at the University of Strathclyde ● President and Chair of the Council of the British Pharmacological Society ● member of the Nuffield Council on Bioethics and the Advisory Council on Misuse of Drugs. New to this edition: Completely rewritten chapter on The Role of Medicinal Chemistry in the Drug Discovery Process. New topic - DMPK Optimization Strategy in drug discovery. New chapter on Scaffolds: Small globular proteins as antibody substitutes. Totally updated chapters on Intellectual Property and Marketing 50 new illustrations in full colour Features Accessible, general guide to pharmaceutical research and development. Examines the interfaces between cost and social benefit, quality control and mass production, regulatory bodies, patent management, and all interdisciplinary intersections essential to effective drug development. Written by a strong team of scientists with long experience in the pharmaceutical industry. Solid overview of all the steps from lab bench to market in an easy-to-understand way which will be accessible to non-specialists. From customer reviews of the previous edition: ‘... it will have everything you need to know on this module. Deeply referenced and, thus, deeply reliable. Highly Commended in the medicine category of the BMA 2006 medical book competition Winner of the Royal Society of Medicine Library Prize for Medical Book of the Year

Physico Chemical Methods in Drug Discovery and Development

Physico Chemical Methods in Drug Discovery and Development Book
Author : Zoran Mandic
Publisher : IAPC Publishing
Release : 2012
ISBN : 9535694200
Language : En, Es, Fr & De

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Book Description :

Download Physico Chemical Methods in Drug Discovery and Development book written by Zoran Mandic, available in PDF, EPUB, and Kindle, or read full book online anywhere and anytime. Compatible with any devices.

The Ups and Downs in Drug Design

The Ups and Downs in Drug Design Book
Author : Victor E. Marquez
Publisher : CRC Press
Release : 2021-11-16
ISBN : 1000462943
Language : En, Es, Fr & De

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Book Description :

The Ups and Downs in Drug Design: Adventures in Medicinal Chemistry highlights the necessity for an integrative approach in medicinal chemistry and chemical biology. As medicinal chemistry is not a monolithic science, it is important to emphasize the other various disciplines that are required for successful drug design. This book presents the author’s own personal experience in this field and describes the "ups" and "downs" that come with drug discovery. It is an excellent companion text for graduate and postgraduate students who would like further insight into the parameters of drug design, including the challenges that come with the project. Key Features Illustrates "real-life" examples in medicinal chemistry Integrates the use of physical, chemical, and biological concepts that are important in drug design Highlights the "ups" and "downs" that come with drug discovery Aims to inspire students who may be struggling with the challenges and thought process in drug design Intends to be an excellent companion text for graduate and postgraduate students

The Organic Chemistry of Drug Design and Drug Action

The Organic Chemistry of Drug Design and Drug Action Book
Author : Richard B. Silverman
Publisher : Elsevier
Release : 2012-12-02
ISBN : 0080513379
Language : En, Es, Fr & De

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Book Description :

Standard medicinal chemistry courses and texts are organized by classes of drugs with an emphasis on descriptions of their biological and pharmacological effects. This book represents a new approach based on physical organic chemical principles and reaction mechanisms that allow the reader to extrapolate to many related classes of drug molecules. The Second Edition reflects the significant changes in the drug industry over the past decade, and includes chapter problems and other elements that make the book more useful for course instruction. New edition includes new chapter problems and exercises to help students learn, plus extensive references and illustrations Clearly presents an organic chemist's perspective of how drugs are designed and function, incorporating the extensive changes in the drug industry over the past ten years Well-respected author has published over 200 articles, earned 21 patents, and invented a drug that is under consideration for commercialization

Challenges in Chemistry Graduate Education

Challenges in Chemistry Graduate Education Book
Author : National Research Council,Division on Earth and Life Studies,Board on Chemical Sciences and Technology,Committee on Challenges in Chemistry Graduate Education; Board on Chemical Sciences
Publisher : National Academies Press
Release : 2012-08-21
ISBN : 0309257115
Language : En, Es, Fr & De

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Book Description :

Chemistry graduate education is under considerable pressure. Pharmaceutical companies, long a major employer of synthetic organic chemists, are drastically paring back their research divisions to reduce costs. Chemical companies are opening new research and development facilities in Asia rather than in the United States to take advantage of growing markets and trained workforces there. Universities, especially public universities, are under significant fiscal constraints that threaten their ability to hire new faculty members. Future federal funding of chemical research may be limited as the federal budget tightens. All of these trends have major consequences for the education of chemistry graduate students in U.S. universities. To explore and respond to these intensifying pressures, the Board on Chemical Sciences and Technology held a workshop in Washington, DC, on January 23-24 2012, titled "Graduate Education in Chemistry in the Context of a Changing Environment." The workshop brought together representatives from across the chemical enterprise, representing leaders and future leaders of academia, industry, and government. The goal of the workshop was not to come to conclusions, but to have an open and frank discussion about critical issues affecting chemistry graduate education, such as the attraction and retainment of the most able students to graduate education, financial stressors on the current support model and their implications for the future model, competencies needed in the changing job market for Ph.D. chemists, and competencies needed to address societal problems such as energy and sustainability. Challenges in Chemistry Graduate Education: A Workshop Summary is organized into six chapters and summarizes the workshop on "Graduate Education in Chemistry in the Context of a Changing Environment."

Managing the Drug Discovery Process

Managing the Drug Discovery Process Book
Author : Walter Moos,Susan Miller,Stephen Munk,Barbara Munk
Publisher : Woodhead Publishing
Release : 2016-11-08
ISBN : 0081006322
Language : En, Es, Fr & De

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Book Description :

Managing the Drug Discovery Process: How to Make It More Efficient and Cost-Effective thoroughly examines the current state of pharmaceutical research and development by providing chemistry-based perspectives on biomedical research, drug hunting and innovation. The book also considers the interplay of stakeholders, consumers, and the drug firm with attendant factors, including those that are technical, legal, economic, demographic, political, social, ecological, and infrastructural. Since drug research can be a high-risk, high-payoff industry, it is important to researchers to effectively and strategically manage the drug discovery process. This book takes a closer look at increasing pre-approval costs for new drugs and examines not only why these increases occur, but also how they can be overcome to ensure a robust pharmacoeconomic future. Written in an engaging manner and including memorable insights, this book is aimed at redirecting the drug discovery process to make it more efficient and cost-effective in order to achieve the goal of saving countless more lives through science. A valuable and compelling resource, this is a must-read for all students and researchers in academia and the pharmaceutical industry. Considers drug discovery in multiple R&D venues, including big pharma, large biotech, start-up ventures, academia, and nonprofit research institutes Analyzes the organization of pharmaceutical R&D, taking into account human resources considerations like recruitment and configuration, management of discovery and development processes, and the coordination of internal research within, and beyond, the organization, including outsourced work Presents a consistent, well-connected, and logical dialogue that readers will find both comprehensive and approachable

Natural Product Chemistry for Drug Discovery

Natural Product Chemistry for Drug Discovery Book
Author : Antony D. Buss,Mark S. Butler
Publisher : Royal Society of Chemistry
Release : 2010
ISBN : 0854041931
Language : En, Es, Fr & De

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Book Description :

This up-to-date summary of natural product chemistry in drug discovery will appeal to scientists, professionals, postgraduates and industrial chemists.

A Handbook for DNA Encoded Chemistry

A Handbook for DNA Encoded Chemistry Book
Author : Robert A. Goodnow, Jr.
Publisher : John Wiley & Sons
Release : 2014-04-28
ISBN : 1118487680
Language : En, Es, Fr & De

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Book Description :

This book comprehensively describes the development and practice of DNA-encoded library synthesis technology. Together, the chapters detail an approach to drug discovery that offers an attractive addition to the portfolio of existing hit generation technologies such as high-throughput screening, structure-based drug discovery and fragment-based screening. The book: Provides a valuable guide for understanding and applying DNA-encoded combinatorial chemistry Helps chemists generate and screen novel chemical libraries of large size and quality Bridges interdisciplinary areas of DNA-encoded combinatorial chemistry – synthetic and analytical chemistry, molecular biology, informatics, and biochemistry Shows medicinal and pharmaceutical chemists how to efficiently broaden available “chemical space” for drug discovery Provides expert and up-to-date summary of reported literature for DNA-encoded and DNA-directed chemistry technology and methods

Lead Generation Approaches in Drug Discovery

Lead Generation Approaches in Drug Discovery Book
Author : Zoran Rankovic,Richard Morphy
Publisher : John Wiley & Sons
Release : 2010-04-07
ISBN : 9780470584163
Language : En, Es, Fr & De

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Book Description :

An integrated overview of modern approaches to lead discovery Lead generation is increasingly seen as a distinct and success-determining phase of the drug discovery process. Over recent years, there have been major advances in the understanding of what constitutes a good lead compound and how to improve the chances of finding such a compound. Written by leading scientists and established opinion leaders from industry and academia, this book provides an authoritative overview of the field, as well as the theory, practice, and scope, of the principal Lead Generation Approaches in Drug Discovery, including: The evolution of the lead discovery process, key concepts, current challenges, and future directions Strategies and technologies driving the high-throughput screening (HTS) approach to lead discovery, including the shifting paradigms in the design of compound collections and best practice in the hit confirmation process Knowledge-based in silico or "virtual" screening Theory and practice of the fragment-based approach to lead discovery The opportunities and challenges presented by multi-target drug discovery (MTDD) De novo design of lead compounds and new approaches to estimating the synthetic accessibility of de novo–designed molecules The impact of natural products on drug discovery, and potential of natural product–like compounds for exploring regions of biologically relevant chemical space Using early screening of hits and leads for metabolic, pharmacokinetic, and toxicological liabilities to reduce attrition during the later phases of drug discovery The utility of parallel synthesis and purification in lead discovery With each topic supported by numerous case studies, this is indispensable reading for researchers in industry and academia who wish to keep up to date with the latest strategies and approaches in drug discovery.

Chemical Biology

Chemical Biology Book
Author : Tomi K. Sawyer,Raimund Mannhold,Hugo Kubinyi,Gerd Folkers
Publisher : Wiley-VCH
Release : 2010-07-28
ISBN : 9783527322985
Language : En, Es, Fr & De

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Book Description :

Compiled by one of the pioneers in the industrial use of chemical biology, this is the first stand-alone publication to systematically address its application to the drug discovery process. The three main parts cover the concepts, methods, and tools, taking in such a wide variety of technologies as chemical genetics, high-throughput screening, bioengineering and bioinformatics. Backed by the key players in the global pharmaceutical market, with the editor and authors relating their first-hand experience.

A Practical Guide to Drug Development in Academia

A Practical Guide to Drug Development in Academia Book
Author : Daria Mochly-Rosen,Kevin Grimes
Publisher : Springer Science & Business Media
Release : 2014-07-08
ISBN : 3319022016
Language : En, Es, Fr & De

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Book Description :

"A lot of hard-won knowledge is laid out here in a brief but informative way. Every topic is well referenced, with citations from both the primary literature and relevant resources from the internet." Review from Nature Chemical Biology Written by the founders of the SPARK program at Stanford University, this book is a practical guide designed for professors, students and clinicians at academic research institutions who are interested in learning more about the drug development process and how to help their discoveries become the novel drugs of the future. Often many potentially transformative basic science discoveries are not pursued because they are deemed ‘too early’ to attract industry interest. There are simple, relatively cost-effective things that academic researchers can do to advance their findings to the point that they can be tested in the clinic or attract more industry interest. Each chapter broadly discusses an important topic in drug development, from preclinical work in assay design through clinical trial design, regulatory issues and marketing assessments. After the practical overview provided here, the reader is encouraged to consult more detailed texts on specific topics of interest. "I would actually welcome it if this book’s intended audience were broadened even more. Younger scientists starting out in the drug industry would benefit from reading it and getting some early exposure to parts of the process that they’ll eventually have to understand. Journalists covering the industry (especially the small startup companies) will find this book a good reality check for many an over-hopeful press release. Even advanced investors who might want to know what really happens in the labs will find information here that might otherwise be difficult to track down in such a concentrated form."

The Practice of Medicinal Chemistry

The Practice of Medicinal Chemistry Book
Author : Camille Georges Wermuth,David Aldous,Pierre Raboisson,Didier Rognan
Publisher : Elsevier
Release : 2015-07-01
ISBN : 012417213X
Language : En, Es, Fr & De

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Book Description :

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 reference for all academic and pharmaceutical researchers who need a complete understanding of medicinal chemistry and its application to drug discovery and development. Includes updated and expanded material on systems biology, chemogenomics, computer-aided drug design, and other important recent advances in the field Incorporates extensive color figures, case studies, and practical examples to help users gain a further understanding of key concepts Provides high-quality content in a comprehensive manner, including contributions from international chapter authors to illustrate the global nature of medicinal chemistry and drug development research An image bank is available for instructors at www.textbooks.elsevier.com