Drug like Properties

Drug like Properties
Author: Li Di,Edward H. Kerns
Publsiher: Academic Press
Total Pages: 580
Release: 2016-01-12
ISBN: 9780128010761
Category: Electronic Book
Language: EN, FR, DE, ES & NL

Drug like Properties 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

Optimizing the Drug Like Properties of Leads in Drug Discovery

Optimizing the  Drug Like  Properties of Leads in Drug Discovery
Author: Ronald Borchardt,Edward Kerns,Michael Hageman,Dhrien Thakker,James Stevens
Publsiher: Springer Science & Business Media
Total Pages: 512
Release: 2007-12-31
ISBN: 0387449612
Category: Medical
Language: EN, FR, DE, ES & NL

Optimizing the Drug Like Properties of Leads in Drug Discovery 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

Drug Like Properties
Author: Li Di,Edward H Kerns
Publsiher: Academic Press
Total Pages: 580
Release: 2015-12-17
ISBN: 0128013222
Category: Science
Language: EN, FR, DE, ES & NL

Drug Like Properties 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

Drug like Properties Concepts Structure Design and Methods

Drug like Properties  Concepts  Structure Design and Methods
Author: Li Di,Edward H Kerns
Publsiher: Elsevier
Total Pages: 552
Release: 2010-07-26
ISBN: 0080557619
Category: Science
Language: EN, FR, DE, ES & NL

Drug like Properties Concepts Structure Design and Methods 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

Discovering and Developing Molecules with Optimal Drug Like Properties

Discovering and Developing Molecules with Optimal Drug Like Properties
Author: Allen C Templeton,Stephen R. Byrn,Roy J Haskell,Thomas E. Prisinzano
Publsiher: Springer
Total Pages: 511
Release: 2014-10-31
ISBN: 1493913999
Category: Medical
Language: EN, FR, DE, ES & NL

Discovering and Developing Molecules with Optimal Drug Like Properties Book Excerpt:

This authoritative volume provides a contemporary view on the latest research in molecules with optimal drug-like properties. It is a valuable source to access current best practices as well as new research techniques and strategies. Written by leading scientists in their fields, the text consists of fourteen chapters with an underlying theme of early collaborative opportunities between pharmaceutical and discovery sciences. The book explores the practical realities of performing physical pharmaceutical and biopharmaceutical research in the context of drug discovery with short timelines and low compound availability. Chapters cover strategies and tactics to enable discovery as well as predictive approaches to establish, understand and communicate risks in early development. It also examines the detection, characterization, and assessment of risks on the solid state properties of advanced discovery and early development candidates, highlighting the link between solid state properties and critical development parameters such as solubility and stability. Final chapters center on techniques to improve molecular solubilization and prevent precipitation, with particularly emphasis on linking physiochemical properties of molecules to formulation selection in preclinical and clinical settings.

ADMET for Medicinal Chemists

ADMET for Medicinal Chemists
Author: Katya Tsaioun,Steven A. Kates
Publsiher: John Wiley & Sons
Total Pages: 512
Release: 2011-02-15
ISBN: 9780470922811
Category: Medical
Language: EN, FR, DE, ES & NL

ADMET for Medicinal Chemists 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.

Molecular Drug Properties

Molecular Drug Properties
Author: Raimund Mannhold
Publsiher: John Wiley & Sons
Total Pages: 502
Release: 2008-06-25
ISBN: 3527621296
Category: Science
Language: EN, FR, DE, ES & NL

Molecular Drug Properties 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.

Structure based Design of Drugs and Other Bioactive Molecules

Structure based Design of Drugs and Other Bioactive Molecules
Author: Arun K. Ghosh,Sandra Gemma
Publsiher: John Wiley & Sons
Total Pages: 474
Release: 2014-08-11
ISBN: 3527333657
Category: Medical
Language: EN, FR, DE, ES & NL

Structure based Design of Drugs and Other Bioactive Molecules 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.

Towards Drugs of the Future

Towards Drugs of the Future
Author: Chris G. Kruse,Hendrick Timmerman
Publsiher: IOS Press
Total Pages: 141
Release: 2008
ISBN: 1586039490
Category: Medical
Language: EN, FR, DE, ES & NL

Towards Drugs of the Future Book Excerpt:

The Meaning of Dwelling Features. Conceptual and Methodological Issues relates the research areas of housing preferences and the meaning of a dwelling with each other and with aspects of the means-end approach as applied in marketing research. It results in a conceptual and methodological framework for studying the meaning of preferences for dwelling features. These features are viewed as functional for achieving the goals and values that people pursue. The meaning of dwelling features lies in these functional relationships. The model presented in this study therefore relates preferences for the features of a dwelling to the meaning they have for people. These relationships are called meaning structures. Meaning structures are measured by a semi-structured interviewing technique, which is an adapted version of the laddering technique for measuring means-end chains, and network methods are used for the representation and analysis of these meaning structures.

Absorption and Drug Development

Absorption and Drug Development
Author: Alex Avdeef
Publsiher: John Wiley & Sons
Total Pages: 314
Release: 2003-09-19
ISBN: 0471450251
Category: Science
Language: EN, FR, DE, ES & NL

Absorption and Drug Development Book Excerpt:

Many times drugs work fine when tested outside the body, but when they are tested in the body they fail. One of the major reasons a drug fails is that it cannot be absorb by the body in a way to have the effect it was intended to have. Permeability, Solubility, Dissolution, and Charged State of Ionizable Molecules: Helps drug discovery professionals to eliminate poorly absorbable molecules early in the drug discovery process, which can save drug companies millions of dollars. Extensive tabulations, in appendix format, of properties and structures of about 200 standard drug molecules.

Static and Dynamic Properties of Liquids

Static and Dynamic Properties of Liquids
Author: M. Davidović
Publsiher: Springer Verlag
Total Pages: 225
Release: 1989
ISBN: 9780387513843
Category: Science
Language: EN, FR, DE, ES & NL

Static and Dynamic Properties of Liquids Book Excerpt:

Pharmaceutical Profiling in Drug Discovery for Lead Selection

Pharmaceutical Profiling in Drug Discovery for Lead Selection
Author: Ronald Borchardt,Edward Kerns,Christopher Lipinski,Dhrien Thakker,Binghe Wang
Publsiher: Springer Science & Business Media
Total Pages: 512
Release: 2005-12-05
ISBN: 9780971176799
Category: Medical
Language: EN, FR, DE, ES & NL

Pharmaceutical Profiling in Drug Discovery for Lead Selection Book Excerpt:

This volume focuses on how to increase the efficiency of drug discovery and development. It is written by experienced discovery scientists from diverse disciplines, including chemistry, drug metabolism, and development sciences. The volume details in silico, in vitro, and in vivo tools for prediction, measurement, and application of compound properties to select and improve potential drug candidates.

Textbook of Drug Design and Discovery Fifth Edition

Textbook of Drug Design and Discovery  Fifth Edition
Author: Kristian Stromgaard,Povl Krogsgaard-Larsen,Ulf Madsen
Publsiher: CRC Press
Total Pages: 579
Release: 2016-08-19
ISBN: 1315354543
Category: Medical
Language: EN, FR, DE, ES & NL

Textbook of Drug Design and Discovery Fifth Edition Book Excerpt:

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.

Synthetic Methods in Drug Discovery

Synthetic Methods in Drug Discovery
Author: David C. Blakemore,Paul M. Doyle,Yvette M. Fobian
Publsiher: Royal Society of Chemistry
Total Pages: 536
Release: 2016
ISBN: 1782627863
Category: Drug development
Language: EN, FR, DE, ES & NL

Synthetic Methods in Drug Discovery Book Excerpt:

The number of available synthetic methods can be overwhelming. In order to create novel motifs and templates which confer new and potentially valuable drug-like properties, it is important to know which synthetic methodologies will give the best results. Similarly, which methodologies are used to progress potential drug candidates from leads through the development process? What are the current industrial research problems and how can they be resolved in an industrial setting? This book highlights key methods that have real impact in drug discovery and facilitate delivery of drug molecules. Synthetic Methods in Drug Discovery Volume 1 focuses on the hugely important area of transition metal mediated methods used in industry. Current methods of importance such as the Suzuki-Miyaura coupling, Buchwald-Hartwig couplings and CH activation are discussed. In addition, exciting emerging areas such as decarboxylative coupling, and the uses of iron and nickel in coupling reactions are also covered. This book provides both academic and industrial perspectives on some key reactions giving the reader an excellent overview of the techniques used in modern synthesis. Reaction types are conveniently framed in the context of their value to industry and the challenges and limitations of methodologies are discussed with relevant illustrative examples. Edited and authored by leading scientists from both academia and industry, this book will be a valuable reference for all chemists involved in drug discovery as well as postgraduate students in medicinal chemistry.

Drug Metabolism and Pharmacokinetics Quick Guide

Drug Metabolism and Pharmacokinetics Quick Guide
Author: Siamak Cyrus Khojasteh,Harvey Wong,Cornelis E.C.A. Hop
Publsiher: Springer
Total Pages: 214
Release: 2011-04-19
ISBN: 9781441956286
Category: Medical
Language: EN, FR, DE, ES & NL

Drug Metabolism and Pharmacokinetics Quick Guide Book Excerpt:

Drug Metabolism and Pharmacokinetics Quick Guide covers a number of aspects of drug assessment at drug discovery and development stages, topics such as pharmacokinetics, absorption, metabolism, enzyme kinetics, drug transporters, drug interactions, drug-like properties, assays and in silico calculations. It covers key concepts, with useful tables on physiological parameters (eg. blood flow to organs in x-species, expression and localization of enzymes and transporters), chemical structure, nomenclature, and moieties leading to bioactivation (with examples). Overall it includes a number of key topics useful at the drug discovery stage, which would serve as a quick reference with several examples from the literature to illustrate the concept.

Drug Discovery

Drug Discovery
Author: Jie Jack Li,E. J. Corey
Publsiher: John Wiley & Sons
Total Pages: 570
Release: 2013-04-12
ISBN: 1118354478
Category: Medical
Language: EN, FR, DE, ES & NL

Drug Discovery Book Excerpt:

Sets forth the history, state of the science, and future directions of drug discovery Edited by Jie Jack Li and Nobel laureate E. J. Corey, two leading pioneers in drug discovery and medicinal chemistry, this book synthesizes great moments in history, the current state of the science, and future directions of drug discovery into one expertly written and organized work. Exploring all major therapeutic areas, the book introduces readers to all facets and phases of drug discovery, including target selection, biological testing, drug metabolism, and computer-assisted drug design. Drug Discovery features chapters written by an international team of pharmaceutical and medicinal chemists. Contributions are based on a thorough review of the current literature as well as the authors' firsthand laboratory experience in drug discovery. The book begins with the history of drug discovery, describing groundbreaking moments in the field. Next, it covers such topics as: Target identification and validation Drug metabolism and pharmacokinetics Central nervous system drugs In vitro and in vivo assays Cardiovascular drugs Cancer drugs Each chapter features a case study, helping readers understand how science is put into practice throughout all phases of drug discovery. References at the end of each chapter serve as a gateway to groundbreaking original research studies and reviews in the field. Drug Discovery is ideal for newcomers to medicinal chemistry and drug discovery, providing a comprehensive overview of the field. Veterans in the field will also benefit from the perspectives of leading international experts in all aspects of drug discovery.

Optimization in Drug Discovery

Optimization in Drug Discovery
Author: Zhengyin Yan,Gary W. Caldwell
Publsiher: Humana Press
Total Pages: 420
Release: 2004-08-11
ISBN: 9781588293329
Category: Medical
Language: EN, FR, DE, ES & NL

Optimization in Drug Discovery Book Excerpt:

Recent analyses of drug attrition rates reveal that a significant number of drug candidates fail in the later stage of clinical development owing to absorption, distribution, metabolism, elimination (ADME), and toxicity issues. Lead optimization in drug discovery, a process attempting to uncover and correct these defects of drug candidates, is highly beneficial in lowering the cost and time to develop therapeutic drugs by reducing drug candidate failures in development. At present, parallel synthesis combining with high-throughput screening has made it easier to generate highly potent compounds (i. e. , hits). However, to be a potential drug, a hit must have drug-like characteristics in addition to potency, which include optimal physicochemical properties, reasonable ph- macokinetic parameters, and good safety profiles. Therefore, research tools must be available in drug discovery to rapidly screen for compounds with favorable drug-like properties, and thus adequate resources can be directed to projects with high potential. Optimization in Drug Discovery: In Vitro Methods is a compilation of detailed experimental protocols necessary for setting up a variety of assays important in compound evaluation. A total of 25 chapters, contributed by many experts in their research areas, cover a wide spectrum of subjects including physicochemical properties, abso- tion, plasma binding, metabolism, drug interactions, and toxicity. A good pharmacokinetic profile has long been recognized as an imp- tant drug-like characteristic. Pharmacokinetic parameters are affected by many properties of drug molecules such as physicochemical nature, abso- tion, metabolic stability, and so on.

Textbook of Drug Design and Discovery Fifth Edition

Textbook of Drug Design and Discovery  Fifth Edition
Author: Kristian Stromgaard,Povl Krogsgaard-Larsen,Ulf Madsen
Publsiher: CRC Press
Total Pages: 450
Release: 2016-08-19
ISBN: 1498702791
Category: Medical
Language: EN, FR, DE, ES & NL

Textbook of Drug Design and Discovery Fifth Edition Book Excerpt:

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.

Water Insoluble Drug Formulation

Water Insoluble Drug Formulation
Author: Ron Liu
Publsiher: CRC Press
Total Pages: 686
Release: 2008-01-18
ISBN: 1420009559
Category: Medical
Language: EN, FR, DE, ES & NL

Water Insoluble Drug Formulation Book Excerpt:

Scientists have attributed more than 40 percent of the failures in new drug development to poor biopharmaceutical properties, particularly water insolubility. Issues surrounding water insolubility can postpone, or completely derail, important new drug development. Even much-needed reformulation of currently marketed products can be significantly affected by these challenges. Water Insolubility is the Primary Culprit in over 40% of New Drug Development Failures The most comprehensive resource on the topic, this second edition of Water Insoluble Drug Formulation brings together a distinguished team of experts to provide the scientific background and step-by-step guidance needed to deal with solubility issues in drug development. Twenty-three chapters systematically describe solubility properties and their impact on formulation, from theory to industrial practice. With detailed discussion on how these properties contribute to solubilization and dissolution, the text also features six brand new chapters on water-insoluble drugs, exploring regulatory aspects, pharmacokinetic behavior, early phase formulation strategies, lipid based systems for oral delivery, modified release of insoluble drugs, and scalable manufacturing aspects. The book includes more than 15 water-insoluble drug delivery systems or technologies, illustrated with case studies featuring oral and parenteral applications. Highlighting the most current information and data available, this seminal volume reflects the significant progress that has been made in nearly all aspects of this field.

Frontiers in Medicinal Chemistry Volume 1

Frontiers in Medicinal Chemistry   Volume  1
Author: Atta-ur Rahman,Allen B. Reitz,M. Iqbal Choudhary,Cheryl P. Kordik
Publsiher: Bentham Science Publishers
Total Pages: 680
Release: 2010-12-10
ISBN: 1608052044
Category: Medical
Language: EN, FR, DE, ES & NL

Frontiers in Medicinal Chemistry Volume 1 Book Excerpt:

""Frontiers in Medicinal Chemistry" is an Ebook series devoted to the review of areas of important topical interest to medicinal chemists and others in allied disciplines. "Frontiers in Medicinal Chemistry" covers all the areas of medicinal chemistry, incl"