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Online Books Series

Methods and Principles in Medicinal Chemistry

Now, you can access this prestigious series from your desktop with the convenience and flexibility of Online Books. The Methods and Principles in Medicinal Chemistry online book series consists of the first 50 volumes published within the series.

From the very beginning, the series has focused on topical volumes covering hot concepts and technologies, and readers will not miss any important topic in the field. The range of topics is as diverse as are the challenges facing modern drug developers, spanning the fields of organic chemistry, pharmacology, toxicology, life science, and analytics, the latter also including bioinformatics, chemoinformatics and proteomics.

Below, you'll find a list of titles in the series that are only available online. From this page you can also...

Only available online…

Protein-Ligand Interactions

From Molecular Recognition to Drug Design

H.-J. Böhm, F. Hoffmann-La Roche Ltd., Basel, Switzerland; G. Schneider, University of Frankfurt, Germany

2003 | Online | 242 pages with 92 figures 14 in color and 9 tables

ISBN: 978-3-527-60181-3

The lock-and-key principle formulated by Emil Fischer as early as the end of the 19th century has still not lost any of its significance for the life sciences but is a central topic in the development of pharmacologically active substances. An up-to-date presentation of an eternally young topic, this book is an indispensable information source for chemists, biochemists and pharmacologists dealing with the binding of ligands to proteins.

Combinatorial Chemistry

A Practical Approach
W. Bannwarth, Universität Freiburg, Germany; E. Felder, Novartis Pharma AG, Basel, Switzerland

2000 | Online | 430 pages with 525 figures and 23 tables

ISBN: 978-3-527-61414-1

As we enter the new millennium, combinatorial chemistry is providing significant impetus to new innovations in synthetic chemistry. This book emphasises that modern combinatorial synthesis is possible not only in the solid phase, but also in solutions. Moreover, it discusses computer-assisted methods as well as the apparatus and instrumentation required for the combinatorial method.

Drug Bioavailability

Estimation of Solubility, Permeability, Absorption and Bioavailability

H. van de Waterbeemd, Pfizer Global Research and Dev., Sandwich, Kent, UK; H. Lennernäs, Dept. of Pharmacy, Uppsala University, Sweden; P. Artursson, Dept. of Pharmacy, Uppsala University, Sweden

2003 | Online | 579 pages with 141 figures and 48 tables

ISBN: 978-3-527-60147-9

The peroral application (swallowing) of a medicine means that the body must first resorb the active substance before it can begin to take effect. Since many pharmacologically active substances are poorly suited for oral intake, a decisive criterion for the efficacy of a medicine is its so-called bioavailability. Written by an international team from academia and the pharmaceutical industry, this book covers all aspects of the oral bioavailability of medicines. Its clear structure and comprehensive coverage make it equally suitable for researchers and lecturers in industry and teaching.

Evolutionary Algorithms in Molecular Design

D. E. Clark, Dagenham Research Centre, Dagenham, Essex, Great Britain

2000 | Online | 276 pages with 57 figures and 10 tables

ISBN: 978-3-527-61316-8

Highlights the versatility of evolutionary algorithms in areas of relevance to molecular design with a particular focus on drug design. The authors, all of whom are experts in their field, discuss the application of these computational methods to a wide range of research problems.

Quantum Medicinal Chemistry

P. Carloni, SISSA / ISAS, Trieste, Italy; F. Alber, The Rockefeller University, New York, USA

2003 | Online | 281 pages with 71 figures 13 in color and 13 tables

ISBN: 978-3-527-60271-1

Everyone relies on the power of computers, including chemical and pharmaceutical laboratories. Increasingly faster and more exact simulation algorithms have made quantum chemistry a valuable tool in the search for active substances. This book cleverly combines the theoretical basics with example applications from chemistry and pharmaceutical research and so will appeal to both beginners as well as experienced users of quantum chemical methods.

New Trends in Synthetic Medicinal Chemistry

F. Gualtieri, Universita degli Studi di Firenze, Italy

2000 | Online | 354 pages with 167 figures and 44 tables

ISBN: 978-3-527-61340-3

This book not only discusses state-of-the-art developments in the field of important classes of compounds such as carbohydrates and nucleotides, but also synthetic methods such as combinatorial chemistry, solid-phase synthesis, bioassisted organic synthesis and asymmetric reactions.

Drug-Membrane Interactions

Analysis, Drug Distribution, Modeling

J. K. Seydel, Research Center Borstel, Germany; M. Wiese, University of Bonn, Germany

2002 | Online | 349 pages with 125 figures and 99 tables

ISBN: 978-3-527-60063-2

Barrier, reservoir, target site - those are but some of the possible functions of biological lipid membranes covered in this publication, in the complex interplay of drugs with the organism. Readers will gain a knowledge of membrane properties and of the various modes of drug-membrane interaction for a better understanding of drug action. This unique volume covers the entire topic and builds on the authors' long experience in the study of drug-membrane interaction.

Structure-based Ligand Design

K. Gubernator, CombiChem, Inc., San Diego, California, USA; H.-J. Böhm, Hoffmann-La Roche AG, Basel, Switzerland

1998 | Online | 153 pages with approx 80 figures 80 in color

ISBN: 978-3-527-612178

The first comprehensive survey on one of the most important concepts in drug design! Written by a team of leading scientists from industry and academia, this volume describes real-life examples of how to design new drugs most efficiently and cheaply.

Bioinformatics: From Genomes to Drugs

T. Lengauer, Max-Planck-Institute for Informatics, Saarbruecken, Germany

2001 | Online | 648 pages with 116 figures 22 in color and 46 tables

ISBN: 978-3-527-60148-6

This comprehensive book is aimed at all those who want to go beyond a mere push-button approach to executing bioinformatics software. It provides a wealth of knowledge and practical guidance on bioinformatics components, algorithmic methods, their potential and limitations, fields of application and future perspectives.

Molecular Modeling

Basic Principles and Applications

H.-D. Höltje, Heinrich-Heine-Universität, Düsseldorf, Germany; G. Folkers, ETH Zürich, Switzerland

1996 | Online | 194 pages with 73 figures 49 in color and 10 tables

ISBN: 978-3-527-61477-6

A concise introduction to foundations and applications of molecular modeling for researchers in industry and university. Starting from basic principles, it shows how to avoid common pitfalls and enables the reader to model proteins and other relevant biomolecules.

Pharmacokinetics and Metabolism in Drug Design

D. A. Smith, Pfizer Global Research & Development; H. van de Waterbeemd, Pfizer Global Research & Development; D. K. Walker, Pfizer Global Research & Development

2001 | Online | 149 pages with 121 figures and 14 tables

ISBN: 978-3-527-60021-2

The medical benefits of a drug are not only dependent on its biological effect, but also on its "life cycle" within the organism - from its absorption into the blood, distribution to tissue until its eventual breakdown or excretion by the liver and kidneys. This book explains in readily comprehensible terms the problems that may arise, and how these may be taken into account at an early stage in drug development.

Lipophilicity in Drug Action and Toxicology

V. Pliska, ETH Zürich, CH; B. Testa, University of Lausanne, CH; H. van de Waterbeemd, Hoffmann La-Roche, Ltd., Basel, CH

1996 | Online | 438 pages with 154 figures 13 in color and 54 tables

ISBN: 978-3-527-61499-8

A thorough and highly topical survey of a rapidly developing field of research! Instructive color plates, numerous references, and the straightforward presentation make this volume a invaluable tool for researchers in biochemstry of medicinal chemistry.

Drug Targeting

Organ-Specific Strategies
G. Molema, University Center for Pharmacy, Groningen, The Netherlands; D. K. F. Meijer, University Center for Pharmacy, Groningen, The Netherlands

2001 | Online | 382 pages with 78 figures and 30 tables

ISBN: 978-3-527-60006-9

This book offers chemists, biochemists, pharmaceutists and physicians an application-oriented overview of the drug targeting. Organized according to target site, the publication deals with successful strategies for target applications as well as modern methodology. Readers will learn about successful strategies and state-of-the-art approaches, techniques and models.

Advanced Computer-Assisted Techniques in Drug Discovery

H. van de Waterbeemd, Hoffmann-La Roche AG, Basel, CH.

1994 | Online | 343 pages with 115 figures 10 in color and 42 tables

ISBN: 978-3-527-61567-4

Covers highly effective and efficient techniques in 3D-QSAR and statistical analysis. The emphasis is on showing users how to apply these methods and avoid costly and time-consuming errors.

Handbook of Molecular Descriptors

R. Todeschini, Milano Chemometric Research Group, Italy; V. Consonni, Dipt. di Scienze dell'Ambiente e del Territorio, Milano, Italy

2000 | Online | 667 pages with 82 figures and 47 tables

ISBN: 978-3-527-61310-6

Providing a thorough overview of the different molecular representations, this handbook is an indispensable guide for all those dealing with bioactive molecules. It gives the definition, symbol, label, formula, some numerical examples, data and molecular graphs for each molecular descriptor, while cross-references, a list of acronyms and notations allow easy access to the information. Examples of descriptor calculations along with tables of descriptor values for selected reference compounds all enhance the book's practical value.

Chemometric Methods in Molecular Design

H. van de Waterbeemd, Hoffmann-La Roche AG, Basel, CH

1995 | Online | 359 pages with 121 figures and 48 tables

ISBN: 978-3-527-30044-0

This practice-oriented handbook provides a comprehensive account of modern chemometric methods in drug design. It presents strategies for making more rational choices in the planning of syntheses, and describes techniques for analyzing biological and chemical data.

Virtual Screening for Bioactive Molecules

H.-J. Böhm, F. Hoffmann-La Roche Ltd., Basel, Switzerland; G. Schneider, F. Hoffmann-La Roche Ltd., Basel, Switzerland

2000 | Online | 307 pages with 113 figures 9 in color and 16 tables

ISBN: 978-3-527-61308-3

This book brings together the various efforts in the field of virtual screening and describes the methodological framework for more effective drug research. Leading experts provide a thorough introduction to the state of the art along with a critical assessment of both successful applications and drawbacks. Experienced scientists, as well as novices, in medicinal chemistry and related disciplines will benefit from the conceptual approach to the topic.

QSAR: Hansch Analysis and Related Approaches

H. Kubinyi, BASF, Ludwigshafen, FRG

1993 | Online | 240 pages with 60 figures and 32 tables

ISBN: 978-3-527-61682-4

A long-awaited comprehensive text to QSAR and related approaches. It provides a practice-oriented introduction to the theory, methods and analyses for QSAR relationships, including modelling-based and 3D approaches.