Drug Like Properties

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Drug-like Properties: Concepts, Structure Design and Methods

Author : Li Di
Publisher : Elsevier
ISBN 13 : 0080557619
Total Pages : 549 pages
Book Rating : 4.0/5 (85 download)

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Book Synopsis Drug-like Properties: Concepts, Structure Design and Methods by : Li Di

Download or read book Drug-like Properties: Concepts, Structure Design and Methods written by Li Di and published by Elsevier. This book was released on 2010-07-26 with total page 549 pages. Available in PDF, EPUB and Kindle. Book excerpt: Of the thousands of novel compounds that a drug discovery project team invents and that bind to the therapeutic target, typically only a fraction of these have sufficient ADME/Tox properties to become a drug product. Understanding ADME/Tox is critical for all drug researchers, owing to its increasing importance in advancing high quality candidates to clinical studies and the processes of drug discovery. If the properties are weak, the candidate will have a high risk of failure or be less desirable as a drug product. This book is a tool and resource for scientists engaged in, or preparing for, the selection and optimization process. The authors describe how properties affect in vivo pharmacological activity and impact in vitro assays. Individual drug-like properties are discussed from a practical point of view, such as solubility, permeability and metabolic stability, with regard to fundamental understanding, applications of property data in drug discovery and examples of structural modifications that have achieved improved property performance. The authors also review various methods for the screening (high throughput), diagnosis (medium throughput) and in-depth (low throughput) analysis of drug properties. Serves as an essential working handbook aimed at scientists and students in medicinal chemistry Provides practical, step-by-step guidance on property fundamentals, effects, structure-property relationships, and structure modification strategies Discusses improvements in pharmacokinetics from a practical chemist's standpoint

Drug-like Properties

Author : Edward Harvel Kerns
Publisher :
ISBN 13 : 9780123695208
Total Pages : 526 pages
Book Rating : 4.6/5 (952 download)

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Book Synopsis Drug-like Properties by : Edward Harvel Kerns

Download or read book Drug-like Properties written by Edward Harvel Kerns and published by . This book was released on 2008 with total page 526 pages. Available in PDF, EPUB and Kindle. Book excerpt: Of the thousands of novel compounds that a drug discovery project team invents and that bind to the therapeutic target, typically only a fraction of these have sufficient ADME/Tox properties to become a drug product. Understanding ADME/Tox is critical for all drug researchers, owing to its increasing importance in advancing high quality candidates to clinical studies and the processes of drug discovery. If the properties are weak, the candidate will have a high risk of failure or be less desirable as a drug product. This book is a tool and resource for scientists engaged in, or preparing for, the selection and optimization process. The authors describe how properties affect in vivo pharmacological activity and impact in vitro assays. Individual drug-like properties are discussed from a practical point of view, such as solubility, permeability and metabolic stability, with regard to fundamental understanding, applications of property data in drug discovery and examples of structural modifications that have achieved improved property performance. The authors also review various methods for the screening (high throughput), diagnosis (medium throughput) and in-depth (low throughput) analysis of drug properties. * Serves as an essential working handbook aimed at scientists and students in medicinal chemistry * Provides practical, step-by-step guidance on property fundamentals, effects, structure-property relationships, and structure modification strategies * Discusses improvements in pharmacokinetics from a practical chemist's standpoint

Optimizing the "Drug-Like" Properties of Leads in Drug Discovery

Author : Ronald Borchardt
Publisher : Springer
ISBN 13 : 9780387340562
Total Pages : 512 pages
Book Rating : 4.3/5 (45 download)

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Book Synopsis Optimizing the "Drug-Like" Properties of Leads in Drug Discovery by : Ronald Borchardt

Download or read book Optimizing the "Drug-Like" Properties of Leads in Drug Discovery written by Ronald Borchardt and published by Springer. This book was released on 2006-09-25 with total page 512 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book arises from a workshop organized by the American Association of Pharmaceutical Scientists entitled "Optimizing the Drug-Like Properties of Leads in Drug Discovery," which took place in Parsippany, NJ in September 2004. The workshop focused on the optimization of the drug-like properties of leads in drug discovery. The volume outlines strategies and methodologies designed to guide pharmaceutical and biotechnology companies through the drug discovery and development process.

Drug-Like Properties

Author : Li Di
Publisher : Academic Press
ISBN 13 : 0128013222
Total Pages : 582 pages
Book Rating : 4.1/5 (28 download)

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Book Synopsis Drug-Like Properties by : Li Di

Download or read book Drug-Like Properties written by Li Di and published by Academic Press. This book was released on 2015-12-17 with total page 582 pages. Available in PDF, EPUB and Kindle. Book excerpt: Of the thousands of novel compounds that a drug discovery project team invents and that bind to the therapeutic target, only a fraction have sufficient ADME (absorption, distribution, metabolism, elimination) properties, and acceptable toxicology properties, to become a drug product that will successfully complete human Phase I clinical trials. Drug-Like Properties: Concepts, Structure Design and Methods from ADME to Toxicity Optimization, Second Edition, provides scientists and students the background and tools to understand, discover, and develop optimal clinical candidates. This valuable resource explores physiochemical properties, including solubility and permeability, before exploring how compounds are absorbed, distributed, and metabolized safely and stably. Review chapters provide context and underscore the importance of key concepts such as pharmacokinetics, toxicity, the blood-brain barrier, diagnosing drug limitations, prodrugs, and formulation. Building on those foundations, this thoroughly updated revision covers a wide variety of current methods for the screening (high throughput), diagnosis (medium throughput) and in-depth (low throughput) analysis of drug properties for process and product improvement. From conducting key assays for interpretation and structural analysis, the reader learns to implement modification methods and improve each ADME property. Through valuable case studies, structure-property relationship descriptions, and structure modification strategies, Drug-Like Properties, Second Edition, offers tools and methods for ADME/Tox scientists through all aspects of drug research, discovery, design, development, and optimization. Provides a comprehensive and valuable working handbook for scientists and students in medicinal chemistry Includes expanded coverage of pharmacokinetics fundamentals and effects Contains updates throughout, including the authors’ recent work in the importance of solubility in drug development; new and currently used property methods, with a reduction of seldom-used methods; and exploration of computational modeling methods

The Organic Chemistry of Drug Design and Drug Action

Author : Richard B. Silverman
Publisher : Elsevier
ISBN 13 : 0080513379
Total Pages : 650 pages
Book Rating : 4.0/5 (85 download)

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Book Synopsis The Organic Chemistry of Drug Design and Drug Action by : Richard B. Silverman

Download or read book The Organic Chemistry of Drug Design and Drug Action written by Richard B. Silverman and published by Elsevier. This book was released on 2012-12-02 with total page 650 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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

Structure-based Design of Drugs and Other Bioactive Molecules

Author : Arun K. Ghosh
Publisher : John Wiley & Sons
ISBN 13 : 3527333657
Total Pages : 474 pages
Book Rating : 4.5/5 (273 download)

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Book Synopsis Structure-based Design of Drugs and Other Bioactive Molecules by : Arun K. Ghosh

Download or read book Structure-based Design of Drugs and Other Bioactive Molecules written by Arun K. Ghosh and published by John Wiley & Sons. This book was released on 2014-08-11 with total page 474 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Drug Design Strategies

Author : David J. Livingstone
Publisher : Royal Society of Chemistry
ISBN 13 : 1849731667
Total Pages : 517 pages
Book Rating : 4.8/5 (497 download)

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Book Synopsis Drug Design Strategies by : David J. Livingstone

Download or read book Drug Design Strategies written by David J. Livingstone and published by Royal Society of Chemistry. This book was released on 2012 with total page 517 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Textbook of Drug Design and Discovery, Third Edition

Author : Tommy Liljefors
Publisher : CRC Press
ISBN 13 : 9780415282888
Total Pages : 596 pages
Book Rating : 4.2/5 (828 download)

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Book Synopsis Textbook of Drug Design and Discovery, Third Edition by : Tommy Liljefors

Download or read book Textbook of Drug Design and Discovery, Third Edition written by Tommy Liljefors and published by CRC Press. This book was released on 2002-07-25 with total page 596 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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 lead identification through optimization and structure-activity relationship with reference to the final processes of clinical evaluation and registration. Chapters investigate the design of enzyme inhibitors and drugs for particular cellular targets such as ion channels and receptors, and also explore specific classes of drug such as peptidomimetics, antivirals and anticancer agents. The use of gene technology in pharmaceutical research, computer modeling techniques, and combinatorial approaches are also included.

Early Drug Development

Author : Mitchell N. Cayen
Publisher : John Wiley & Sons
ISBN 13 : 1118035208
Total Pages : 507 pages
Book Rating : 4.1/5 (18 download)

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Book Synopsis Early Drug Development by : Mitchell N. Cayen

Download or read book Early Drug Development written by Mitchell N. Cayen and published by John Wiley & Sons. This book was released on 2011-02-25 with total page 507 pages. Available in PDF, EPUB and Kindle. Book excerpt: The focus of early drug development has been the submission of an Investigational New Drug application to regulatory agencies. Early Drug Development: Strategies and Routes to First-in-Human Trials guides drug development organizations in preparing and submitting an Investigational New Drug (IND) application. By explaining the nuts and bolts of preclinical development activities and their interplay in effectively identifying successful clinical candidates, the book helps pharmaceutical scientists determine what types of discovery and preclinical research studies are needed in order to support a submission to regulatory agencies.

ADMET for Medicinal Chemists

Author : Katya Tsaioun
Publisher : John Wiley & Sons
ISBN 13 : 0470922818
Total Pages : 454 pages
Book Rating : 4.4/5 (79 download)

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Book Synopsis ADMET for Medicinal Chemists by : Katya Tsaioun

Download or read book ADMET for Medicinal Chemists written by Katya Tsaioun and published by John Wiley & Sons. This book was released on 2011-02-15 with total page 454 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book guides medicinal chemists in how to implement early ADMET testing in their workflow in order to improve both the speed and efficiency of their efforts. Although many pharmaceutical companies have dedicated groups directly interfacing with drug discovery, the scientific principles and strategies are practiced in a variety of different ways. This book answers the need to regularize the drug discovery interface; it defines and reviews the field of ADME for medicinal chemists. In addition, the scientific principles and the tools utilized by ADME scientists in a discovery setting, as applied to medicinal chemistry and structure modification to improve drug-like properties of drug candidates, are examined.

Blood-Brain Barrier in Drug Discovery

Author : Li Di
Publisher : John Wiley & Sons
ISBN 13 : 1118788354
Total Pages : 604 pages
Book Rating : 4.1/5 (187 download)

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Book Synopsis Blood-Brain Barrier in Drug Discovery by : Li Di

Download or read book Blood-Brain Barrier in Drug Discovery written by Li Di and published by John Wiley & Sons. This book was released on 2015-02-02 with total page 604 pages. Available in PDF, EPUB and Kindle. Book excerpt: Focused on central nervous system (CNS) drug discovery efforts, this book educates drug researchers about the blood-brain barrier (BBB) so they can affect important improvements in one of the most significant – and most challenging – areas of drug discovery. • Written by world experts to provide practical solutions to increase brain penetration or minimize CNS side-effects • Reviews state-of-the-art in silico, in vitro, and in vivo tools to assess brain penetration and advanced CNS drug delivery strategies • Covers BBB physiology, medicinal chemistry design principles, free drug hypothesis for the BBB, and transport mechanisms including passive diffusion, uptake/efflux transporters, and receptor-mediated processes • Highlights the advances in modelling BBB pharmacokinetics and dynamics relationships (PK/PD) and physiologically-based pharmacokinetics (PBPK) • Discusses case studies of successful CNS and non-CNS drugs, lessons learned and paths to the market

Pharmacokinetics and Metabolism in Drug Design

Author : Dennis A. Smith
Publisher : John Wiley & Sons
ISBN 13 : 3527608281
Total Pages : 207 pages
Book Rating : 4.5/5 (276 download)

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Book Synopsis Pharmacokinetics and Metabolism in Drug Design by : Dennis A. Smith

Download or read book Pharmacokinetics and Metabolism in Drug Design written by Dennis A. Smith and published by John Wiley & Sons. This book was released on 2006-08-21 with total page 207 pages. Available in PDF, EPUB and Kindle. Book excerpt: In this new edition of a bestseller, all the contents have been updated and new material has been added, especially in the areas of toxicity testing and high throughput analysis. The authors, all of them employed at Pfizer in the discovery and development of new active substances, discuss the significant parameters and processes important for the absorption, distribution and retention of drug compounds in the body, plus the potential problems created by their transformation into toxic byproducts. They cover everything from the fundamental principles right up to the impact of pharmacokinetic parameters on the discovery of new drugs. While aimed at all those dealing professionally with the development and application of pharmaceutical substances, the readily comprehensible style makes this book equally suitable for students of pharmacy and related subjects.

Molecular Drug Properties

Author : Raimund Mannhold
Publisher : John Wiley & Sons
ISBN 13 : 3527621296
Total Pages : 502 pages
Book Rating : 4.5/5 (276 download)

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Book Synopsis Molecular Drug Properties by : Raimund Mannhold

Download or read book Molecular Drug Properties written by Raimund Mannhold and published by John Wiley & Sons. This book was released on 2008-06-25 with total page 502 pages. Available in PDF, EPUB and Kindle. Book excerpt: This first systematic overview for more than a decade is tailor-made for the medicinal chemist. All the chapters are written by experienced drug developers and include practical examples from real drug candidates. Following an introduction to global drug properties and their impact on drug research, screening and combinatorial chemistry libraries, this handbook demonstrates the best and fastest way to estimate those properties most relevant for the efficiency and pharmacokinetic performance of a drug molecule: lipophilicity,solubility, electronic properties and conformation.

Prodrugs

Author : Valentino Stella
Publisher : Springer Science & Business Media
ISBN 13 : 038749782X
Total Pages : 1447 pages
Book Rating : 4.3/5 (874 download)

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Book Synopsis Prodrugs by : Valentino Stella

Download or read book Prodrugs written by Valentino Stella and published by Springer Science & Business Media. This book was released on 2007-03-12 with total page 1447 pages. Available in PDF, EPUB and Kindle. Book excerpt: These volumes represent a comprehensive guide to prodrugs. They guide the reader through the current status of the prodrug concept and its many applications and highlight its many successes in overcoming formulation and delivery of problematic drugs. Replete with examples of approved and marketed prodrugs, these volumes introduce the topic to the novice as well as professional in the design of prodrugs.

Pharmacokinetics Made Easy

Author : Donald J. Birkett
Publisher : McGraw Hill Professional
ISBN 13 : 9780074710722
Total Pages : 162 pages
Book Rating : 4.7/5 (17 download)

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Book Synopsis Pharmacokinetics Made Easy by : Donald J. Birkett

Download or read book Pharmacokinetics Made Easy written by Donald J. Birkett and published by McGraw Hill Professional. This book was released on 2002 with total page 162 pages. Available in PDF, EPUB and Kindle. Book excerpt: Pharmacokinetics Made Easy 1Rpresents the complex subject of pharmacokinetics in a simple, easy-to-understand manner, lending itself to a wide audience including medical practitioners, health professionals and students of pharmacology, medicine and nursing. The physiological approach adopted in the book allows clinical issues in drug therapy to be addressed, making it directly applicable to practice situations. The chapters in this book were initially published as a series of articles inAustralian Prescriberto assist practitioners in drug dosing and therapy. In this revised edition, the book has been updated according to recent developments and a new chapter called 'How to Determine the Pharmacokinetic Parameters of a Drug' added. Each chapter also has a new feature-a list of key points summarising the content to improve accessibility and understanding.

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.

Computer-Aided Drug Design

Author : Dev Bukhsh Singh
Publisher : Springer Nature
ISBN 13 : 9811568154
Total Pages : 308 pages
Book Rating : 4.8/5 (115 download)

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Book Synopsis Computer-Aided Drug Design by : Dev Bukhsh Singh

Download or read book Computer-Aided Drug Design written by Dev Bukhsh Singh and published by Springer Nature. This book was released on 2020-10-09 with total page 308 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book provides up-to-date information on bioinformatics tools for the discovery and development of new drug molecules. It discusses a range of computational applications, including three-dimensional modeling of protein structures, protein-ligand docking, and molecular dynamics simulation of protein-ligand complexes for identifying desirable drug candidates. It also explores computational approaches for identifying potential drug targets and for pharmacophore modeling. Moreover, it presents structure- and ligand-based drug design tools to optimize known drugs and guide the design of new molecules. The book also describes methods for identifying small-molecule binding pockets in proteins, and summarizes the databases used to explore the essential properties of drugs, drug-like small molecules and their targets. In addition, the book highlights various tools to predict the absorption, distribution, metabolism, excretion (ADME) and toxicity (T) of potential drug candidates. Lastly, it reviews in silico tools that can facilitate vaccine design and discusses their limitations.