Modern Methods of Drug Discovery
This volume offers a broad and interdisciplinary view of modern approaches to drug discovery as used by pharmaceutical companies and research institutes. It comprehensively covers proteomics, bioinformatics, screening techniques such as high-throughput-,
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Modern Methods of Drug Discovery Edited by A. Hillisch and R. Hilgenfeld
Springer Basel AG
Editors Dr. Alexander Hillisch EnTecGmbH Structural Bioinformatics and Drug Design Adolf-Reichwein-StraBe 20 D-07745 Jena, Germany [email protected] www.entec-jena.de
Prof. Rolf Hilgenfeld Institut fUr Molekulare Biotechnologie e. V. Abt. Strukturbiologie-Kristallographie BeutenbergstraBe Il D-07745 Jena, Germany [email protected] www.imb-jena.de/www_sbx
Library of Congress Cataloging-in-Publication Data Modem methods of drug discovery / Alexander Hillisch, Rolf Hilgenfeld, editors. p.cm Includes bibliographical references and index. ISBN 376436081X (alk. paper) 1. Drugs--Research. 2. Pharmaceutical technology. 3. Pharmaceutical chemistry--Data processing. 4. QSAR (Biochemistry) 5. Combinatorial chemistry. 1. Hillisch, Alexander, 1971- II. Hilgenfeld, R. (RoU) RM301.25 .M63 2002 615'.19--dc21
2002028141
Bibliographic information published by Die Deutsche Bibliothek Die Deutsche Bibliothek lists this publication in the Deutsche Nationalbibliografie; detailed bibliographic data is available in the internet at http://dnb.ddb.de. ISBN 978-3-0348-9397-8 ISBN 978-3-0348-7997-2 (eBook) DOI 10.1007/978-3-0348-7997-2 The publisher and editor can give no guarantee for the information on dosage and administration contained in thls publication. The respective user must check its accuracy by consulting other sources of reference in each individual case. The use of registered names, trademarks etc. in this publication, even if not identified as such, does not imply that they are exempt from the relevant protective laws and regulations or free for general use. This work is subject to copyright. AlI rights are reserved, whether the whole or part of the material is concerned, specificalIy the rights of translation, reprinting, re-use of illustrations, recitation, broadcasting, reproduction on microfilms or in other ways, and storage in data banks. For any kind of use, permission of the copyright owner must be obtained. © Springer Basel AG 2003 Urspriinglich erschienen bei Birkhăuser Verlag 2003 Softcover reprint of the hardcover 1st edition 2003 Member of the BertelsmannSpringer Publishing Group Prlnted on acid-free paper produced from chlorine-free pulp. TCF 00 Cover design: Micha Lotrovsky, Therwil, Switzerland Cover illustration: Background picture: x-ray structure of influenza virus B neuraminidase complexed with Zanamivir™. This compound was designed on the basis of the 3D-structure of the enzyme. The surface of the drug is color coded according to the electrostatic potential (blue negatively and red positively charged). The picture was generated using SYBYL 6.8. Icons (from left to right): tips of a pipetting robot used for high-throughput screening of compound libraries (provided by CyBio AG, Jena, Germany); Yew tree (Taxus baccata) needles and fruits containing taxol, a potent anticancer drug; sequence alignment of the nuclear receptor protein family (provided by EnTec GmbH, HamburglJena, Germany); DNA-micr
