Drug-Like Properties

Concepts, Structure Design and Methods from ADME to Toxicity Optimization

Author: Li Di,Edward H Kerns

Publisher: Academic Press

ISBN: 0128013222

Category: Science

Page: 580

View: 7695

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

from ADME to Toxicity Optimization

Author: Li Di,Edward H Kerns

Publisher: Elsevier

ISBN: 0080557619

Category: Science

Page: 552

View: 1207

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

Developing Solid Oral Dosage Forms

Pharmaceutical Theory and Practice

Author: Yihong Qiu,Yisheng Chen,Geoff G.Z. Zhang,Lawrence Yu,Rao V. Mantri

Publisher: Academic Press

ISBN: 0128026375

Category: Medical

Page: 1176

View: 8936

Developing Solid Oral Dosage Forms: Pharmaceutical Theory and Practice, Second Edition illustrates how to develop high-quality, safe, and effective pharmaceutical products by discussing the latest techniques, tools, and scientific advances in preformulation investigation, formulation, process design, characterization, scale-up, and production operations. This book covers the essential principles of physical pharmacy, biopharmaceutics, and industrial pharmacy, and their application to the research and development process of oral dosage forms. Chapters have been added, combined, deleted, and completely revised as necessary to produce a comprehensive, well-organized, valuable reference for industry professionals and academics engaged in all aspects of the development process. New and important topics include spray drying, amorphous solid dispersion using hot-melt extrusion, modeling and simulation, bioequivalence of complex modified-released dosage forms, biowaivers, and much more. Written and edited by an international team of leading experts with experience and knowledge across industry, academia, and regulatory settings Includes new chapters covering the pharmaceutical applications of surface phenomenon, predictive biopharmaceutics and pharmacokinetics, the development of formulations for drug discovery support, and much more Presents new case studies throughout, and a section completely devoted to regulatory aspects, including global product regulation and international perspectives

Frontiers in Computational Chemistry: Volume 4

Author: Zaheer Ul-Haq,Angela K. Wilson

Publisher: Bentham Science Publishers

ISBN: 1681084414

Category: Science

Page: 246

View: 904

Frontiers in Computational Chemistry presents contemporary research on molecular modeling techniques used in drug discovery and the drug development process: computer aided molecular design, drug discovery and development, lead generation, lead optimization, database management, computer and molecular graphics, and the development of new computational methods or efficient algorithms for the simulation of chemical phenomena including analyses of biological activity. The fourth volume of this series features four chapters covering natural lead compounds, computer aided drug discovery methods in Parkinson’s Disease therapy, studies of aminoacyl tRNA synthetase inhibition in bacteria, computational modeling of halogen bonds in biological systems and molecular classification of caffeine and its metabolites.

Introduction to Biological and Small Molecule Drug Research and Development

Theory and Case Studies

Author: C. Robin Ganellin,Roy Jefferis,Stanley M. Roberts

Publisher: Academic Press

ISBN: 0123977703

Category: Science

Page: 472

View: 6678

Introduction to Biological and Small Molecule Drug Research and Development provides, for the first time, an introduction to the science behind successful pharmaceutical research and development programs. The book explains basic principles, then compares and contrasts approaches to both biopharmaceuticals (proteins) and small molecule drugs, presenting an overview of the business and management issues of these approaches. The latter part of the book provides carefully selected real-life case studies illustrating how the theory presented in the first part of the book is actually put into practice. Studies include Herceptin/T-DM1, erythropoietin (Epogen/Eprex/NeoRecormon), anti-HIV protease inhibitor Darunavir, and more. Introduction to Biological and Small Molecule Drug Research and Development is intended for late-stage undergraduates or postgraduates studying chemistry (at the biology interface), biochemistry, medicine, pharmacy, medicine, or allied subjects. The book is also useful in a wide variety of science degree courses, in post-graduate taught material (Masters and PhD), and as basic background reading for scientists in the pharmaceutical industry. For the first time, the fundamental scientific principles of biopharmaceuticals and small molecule chemotherapeutics are discussed side-by-side at a basic level Edited by three senior scientists with over 100 years of experience in drug research who have compiled the best scientific comparison of small molecule and biopharmaceuticals approaches to new drugs Illustrated with key examples of important drugs that exemplify the basic principles of pharmaceutical drug research and development


Author: Helmut Arthur Fischer,Gottfried Werner

Publisher: Walter de Gruyter GmbH & Co KG

ISBN: 3111726835

Category: Science

Page: 223

View: 896



Entwurf und Wirkung von Arzneistoffen

Author: Gerhard Klebe

Publisher: Springer-Verlag

ISBN: 3827422132

Category: Medical

Page: 637

View: 9536

Dieses für den deutschen Raum einzigartige Lehrbuch richtet sich an Studenten der Pharmazie, Chemie und Biowissenschaften, aber auch an Quereinsteiger in Forschungs- und Entwicklungsabteilungen der Pharmazeutischen Industrie. Die zweite Auflage ist komplett überarbeitet. Zahlreiche aktuelle Entwicklungen vor allem im methodischen Bereich sind zum Teil in neuen Kapiteln aufgegriffen, viele Fallbeispiele machen die Theorien und Verfahren anschaulich und nachvollziehbar. Der Bogen spannt sich von der Geschichte der Arzneimittelforschung, den Wirkmechanismen der Arzneistoffe und den Methoden zur Leitstruktursuche und -optimierung über Strukturbestimmungsmethoden, Modelling, Moleküldynamik und QSAR-Methoden bis zum struktur- und computergestützten Design. Insgesamt legt das Buch besonderen Wert auf die räumliche Struktur der interagierenden Moleküle und erklärt, warum ein bestimmter Wirkstoff in seiner Gestalt praktisch durch die Geometrie und den Wirkmechanismus des Zielproteins festgelegt wird. Die beiliegende DVD mit interaktiven Molekülmodellen dient dem Ziel, dem Lernenden einen leichten Zugang zum räumlichen Verständnis der molekularen Strukturen und Interaktionen zu geben.

Arzneiverordnungs-Report 2013

Aktuelle Daten, Kosten, Trends und Kommentare

Author: Ulrich Schwabe,Dieter Paffrath

Publisher: Springer-Verlag

ISBN: 3642371248

Category: Medical

Page: 1155

View: 4422

Die vertragsärztlichen Arzneiverordnungen für ambulante Patienten werden seit 1985 im Arzneiverordnungs-Report analysiert. Datenbasis für 2012 sind 716 Millionen GKV-Rezepte (davon 634 Mio. Fertigarzneimittelrezepte), die von 203 599 Vertragsärzten ausgestellt wurden, darunter erstmals auch 60 533 Zahnärzte. In 40 Indikationsgruppen werden aktuelle Versorgungstrends dargestellt. Zum ersten Mal ist auch ein Kapitel über Rezepturarzneimittel enthalten sowie ein zusätzliches Kapitel über zahnärztliche Verordnungen. Presseecho zum Arzneiverordnungs-Report 2012 „Noch viel Luft bei Pharmapreisen ‒ Arzneimittelreport sieht Milliarden-Einsparpotential“ (Frankfurter Allgemeine Zeitung 28.09.2012) „Deutsche zahlen bei Pillen drauf ‒ Untersuchung lobt Reformen, aber warnt vor neuem Ausgabenanstieg“ (Hannoversche Allgemeine Zeitung 28.09.2012) „Die Patienten zahlen drauf ‒ Die Kosten für Arzneimittel gehen wieder nach oben. Das ist ganz im Sinne der Industrie, doch schlecht für die Beitragszahler“ (Sächsische Zeitung 28.09.2012) „Pillenknick ‒ Der Preistopp wirkt: Kosten für Medikamente sinken, obwohl mehr verschrieben werden“ (Süddeutsche Zeitung 28.09.2012)

Taschenatlas Pharmakologie

Author: Lutz Hein,Heinz Lüllmann,Klaus Mohr

Publisher: Georg Thieme Verlag

ISBN: 3131516577

Category: Medical

Page: 416

View: 1099

Wirkt sofort! Dieser Taschenatlas hilft. Beschwerden der Verwirrung und Überforderung werden sofort gemildert und weichen dem Gefühl des Verstehens und Begreifens. Die Wirkstoffe Visualisierung und Kompaktheit sind in großen Mengen aktiv. - Über 170 brillante Infografiken illustrieren die Pharmakologie und erleichtern dir den Zugang zu pharmakologischen Sachverhalten. Die kompakten Lerneinheiten eignen sich als Ergänzung zu einem Lehrbuch, zum Vertiefen und Wiederholen. Alle relevanten Informationen zu Wirkstoffgruppen kannst du rasch und gut verständlich nachlesen. Das sinnvolle arzneimitteltherapeutische Vorgehen bei wichtigen Erkrankungen kompakt und auf dem aktuellen Stand. Arzneimittel-Konvertierungslisten helfen dir auf der Suche nach dem Wirkstoff- oder Handelsnamen. Dank Daumenregister und Farbleitsystem kannst du dich schnell orientieren. Du verstehst Zusammenhänge und schaust über den ein oder anderen Tellerrand.


Author: Wolf-Dieter Müller-Jahncke,Christoph Friedrich,Ulrich Meyer

Publisher: N.A


Category: Chemotherapy

Page: 282

View: 7378

Spannend wie ein Krimi! Arzneimittelgeschichte - ein alter Zopf? Keineswegs, denn auch unsere heutigen modernen Arzneimittel sind nicht wie Phönix aus der Asche entstanden, sondern wurden - teils auf abenteuerlichen Umwegen - Schritt für Schritt entwickelt. Zwei Pharmaziehistoriker und ein Industrieapotheker nehmen den Leser mit auf eine Reise durch die Geschichte der Medikamente: . Von Therapiekonzepten und Arzneiformen der Antike bis heute, . von iatromagischen Arzneimitteln bis zur Isolierung des Morphins, und . von der zufälligen Entdeckung des Penicillins bis zur systematischen Arzneimittelentwicklung auf Basis der modernen Rezeptorpharmakologie. Weitere Etappen sind die überarbeiteten und aktualisierten Kapitel zur Geschichte der modernen synthetischen Arzneimittel - von den Analgetika bis zu den Zytostatika. Pharmazie- und Medizinhistoriker, Apotheker und Ärzte, Studenten der Pharmazie und Medizin sowie alle anderen, die sich für Arzneimittel und ihre Geschichte interessieren, werden in diesem Buch spannende Entdeckungen machen.

Comprehensive medicinal chemistry II

Author: John B. Taylor,D. J. Triggle

Publisher: Elsevier Science Ltd

ISBN: 9780080445137

Category: Computers

Page: 7200

View: 8047

The first edition of Comprehensive Medicinal Chemistry was published in 1990 and very well received. Comprehensive Medicinal Chemistry II is much more than a simple updating of the contents of the first edition. Completely revised and expanded, this new edition has been refocused to reflect the significant developments and changes over the past decade in genomics, proteomics, bioinformatics, combinatorial chemistry, high-throughput screening and pharmacology, and more. The content comprises the most up-to-date, authoritative and comprehensive reference text on contemporary medicinal chemistry and drug research, covering major therapeutic classes and targets, research strategy and organisation, high-throughput technologies, computer-assisted design, ADME and selected case histories. It is this coverage of the strategy, technologies, principles and applications of medicinal chemistry in a single work that will make Comprehensive Medicinal Chemistry II a unique work of reference and a single point of entry to the literature for pharmaceutical and biotechnology scientists of all disciplines and for many industry executives as well.Comprehensive Medicinal Chemistry II will be available online in 2007 via the proven platform ScienceDirect providing the user with enhanced features such as cross-referencing and dynamic linking. * Comprehensively reviews - for the first time in one single work - the strategies, technologies, principles and applications of modern medicinal chemistry * Provides a global and current perspective of today's drug discovery process and discusses the major therapeutic classes and targets * Includes a unique collection of case studies and personal assays reviewing the discovery and development of key drugs