Hugo Kubinyi & Gerhard Müller 
Chemogenomics in Drug Discovery 
A Medicinal Chemistry Perspective

Die Chemogenomik ist eine Brückendisziplin zwischen Chemie und Biologie, die im Rahmen der Suche nach neuen Wirkstoffen Ansätze der kombinatorischen Chemie mit Proteomik und Genomik verbindet. Zwanzig Forschungsgruppen von Universitäten und aus pharmazeutischen Unternehmen erläutern Ihnen in diesem Band alle Schritte der frühen Wirkstoffforschung – von der Wahl des Targets über Verbindungsbibliotheken bis zum Design von Leitstrukturen. Wirkstoffentwickler und medizinische Chemiker, die mit chemogenomischen Methoden arbeiten, werden auf diese umfangreiche und kompetente Informationsquelle nicht verzichten wollen.

Table of Content

Introduction
GENERAL ASPECTS
Target Family-directed Masterkeys
Drug Discovery from Side Effects
Chemical Genetics in Drug Discovery
Structural Aspects of Binding Site Similarity
TARGET FAMILIES
Knowledge-based Discovery of Biological Targets
Chemical Kinomics
Kinase Inhibitors
Ion Channel Modulators
Phosphodiesterase Inhibitors
Proteochemometrics
CHEMICAL LIBRARIES
Compound Library and Template Design for GPCRs
Computational Filters in Lead Generation
Ligand-based Design of Focused Libraries
Natural Product-derived Combinatorial Libraries
Combinatorial Chemistry in the Chemical Genomics Age

About the author

Hugo Kubinyi studied chemistry in Vienna, Austria. After his Ph.D. thesis at the Max Planck Institute of Biochemistry in Munich he continued as a Post Doc at the German Cancer Research Centre in Heidelberg. In 1966 he joined Knoll AG, later a subsidiary of BASF AG, and in 1985 he moved to BASF AG. Since 1987, until his retirement in summer 2001, he was responsible for the Molecular Modelling, Protein Crystallography and Drug Design group of BASF, since early 1998 also for Combinatorial Chemistry in the Life Sciences.
He is Professor of Pharmaceutical Chemistry at the University of Heidelberg, former Chair of The QSAR and Modelling Society, and IUPAC Fellow. From his scientific work resulted five books on QSAR, 3D QSAR, and Drug
Design (the German book ‘Wirkstoffdesign’ received the 1999 Book Award of the FCI, Association of Chemical Industry) and about 90 publications.
He is a member of several Scientific Advisory Boards, coeditor of the Wiley-VCH book series ‘Methods and Principles in Medicinal Chemistry’, and member of the Editorial Boards of several scientific journals.

Gerhard Müller graduated in Organic Chemistry from the University of Frankfurt/Main (Germany) and received his Ph D in 1992 at the Technical University of Munich. After two years in the Medicinal Chemistry department of Glaxo Verona (Italy), he joined the central research facility of the Bayer AG, Leverkusen. From 1998 onwards he was project manager of a target family approach in medicinal chemistry. From 2001 to 2003 he headed the chemistry section of Organon’s Lead Discovery Unit in Oss (The Netherlands). Since summer 2003, Gerhard Müller is the chief scientific officer of the Munich-based biotech company Axxima Pharmaceuticals AG.