Chemogenomics
in Drug Discovery
A Medicinal Chemistry Perspective
edited by Hugo Kubinyi

Chemogenomics brings together the most powerful concepts in modern chemistry and biology, linking combinatorial chemistry with genomics and proteomics. This is the first reference devoted to the topic covers all stages of the early drug discovery process, from target selection to compound library and lead design.

With the combined expertise of 15 research groups from academia and leading pharmaceutical companies, this reference is indispensable reading for every drug developer and medicinal chemist who wants to stay ahead in the search for new and improved drugs.

Contents

Introduction
1. General Aspects
   1. Target Family-Directed Masterkeys in Chemogenomics
   2. Drug Discovery from Side Effects
   3. The Value of Chemical Genetics in Drug Discovery
   4. Structural Aspects of Binding Site Similarity: A 3D Upgrade for Chemogenomics

2. Target Families
   5. The Contribution of Molecular Informatics to Chemogenomics. Knowledge-Based Discovery of Biological Targets and Chemical Lead Compounds
   6. Chemical Kinomics
   7. Structural Aspects of Kinases and Their Inhibitors
   8. A Chemical Genomics Approach for Ion Channel Modulators
   9. Phosphodiesterase Inhibitors: A Chemogenomic View
   10. Proteochemometrics: A Tool for Modeling the Molecular Interaction Space

3. Chemical Libraries
   11. Some Principles Related to Chemogenomics in Compound Library and Template Design for GPCRs
   12. Computational Filters in Lead Generation: Targeting Drug-Like Chemotypes
   13. Navigation in Chemical Space: Ligand-based Design of Focused Compound Libraries
   14. Natural Product-derived Combinatorial Libraries and Protein Structure Similarity as Guiding Principles for the Discovery of Drug Candidates
   15. Combinatorial Chemistry in the Age of Chemical Genomics Age

Index

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