Small Molecule — Protein Interactions

1. Front Matter

   Pages I-XV

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2. Drug Discovery Opportunities

   • J. Reinhard-Rupp, G. Wess

   Pages 1-10

3. Target Analysis: A Priori Assessment of Druggability

   • A. L. Hopkins, C. R. Groom

   Pages 11-17

4. Drug Discovery at Signaling Interfaces

   • J. Wells, M. Arkin, A. Braisted, W. DeLano, B. McDowell, J. Oslob et al.

   Pages 19-27

5. Chemical Genomics of Orphan Nuclear Receptors

   • T. Willson

   Pages 29-42

6. High-Throughput X-Ray Techniques and Drug Discovery

   • H. Jhoti

   Pages 43-58

7. NMR in Medicinal Chemistry

   • H. Kessler, M. Heller, G. Gemmecker, T. Diercks, E. Planker, M. Coles

   Pages 59-85

8. Creating Knowledge from High-Throughput Screening Data

   • M. F. M. Engels

   Pages 87-101

9. From Structure to Recognition Principles: Mining in Crystal Data as a Prerequisite for Drug Design

   • G. Klebe

   Pages 103-126

10. Practical Database Screening with Docking Tools

    • M. Stahl, T. Schulz-Gasch

    Pages 127-151

11. De Novo Design Methods

    • H. Briem

    Pages 153-166

12. From Protein Domains to Drug Candidates — Natural Products as Guiding Principles in Compound Library Design and Synthesis

    • R. Breinbauer, I. R. Vetter, H. Waldmann

    Pages 167-188

13. Discovery of New MCRs, Chemical Evolution and Lead Optimization

    • L. Weber

    Pages 189-199

14. The Impact of Combinatorial Chemistry on Drug Discovery

    • P. H. H. Hermkens, G. Müller

    Pages 201-220

15. Back Matter

    Pages 221-228

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Based on the international workshop on 'Small Molecule - Protein Interactions' held in Berlin, April 24-26, 2002, researchers from industry and academic laboratories describe novel and efficient ways selecting promising new drug targets and developing small molecule inhibitors against them. The structure of the book corresponds to the different aspects of the drug discovery process. All chapters are written by leading experts in the field, who present and discuss the most recent state-of-the-art tools and techniques for the development of novel drugs. The value of the book lies in surveying and summarizing the approaches taken by different companies and institutions giving the reader a balanced view on the use of the latest techniques on the one hand and experience-based assistance in selecting appropriate tools for their own work on the other hand.

• Combinatorial Chemistry
• Drug Design
• Drug Discovery
• Target Assessment
• Target Screening
• molecule

• Max-Planck-Institut für Molekulare Physiologie, Dortmund, Germany

  H. Waldmann

• Universität Dortmund, Fachbereich 3, Organische Chemie, Dortmund, Germany

  H. Waldmann

• Medicinal Chemistry, Schering AG, Berlin, Germany

  M. Koppitz

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