In the post-genomic era, one of the key challenges for drug discovery is making optimal use of the comprehensive genomic data available after the elucidation of the human genome and others in order to identify effective new medicines. Addressing this challenge, chemogenomics aims to identify systematically all ligands and modulators for all the gene products expressed and allows the accelerated exploration of their biological function. The subject brings together diverse disciplines including chemistry, genetics, chemo- and bioinformatics, structural biology, and biological screening in phenotypic and target-based assays.This book uniquely integrates reviews of the latest cutting-edge research by leaders in the various disciplines, providing a general, knowledge-centric overview of the different chemical, biological and informatics components. Unlike existing publications, the book focuses on how these disciplines interact efficiently for the rapid discovery of new targets and their effector molecules simultaneously. Examples of chemogenomics approaches pursued in academia as well as in biotech and pharmaceutical companies are also provided.
# A Reductionist Approach to Chemogenomics in the Design of Drug Molecules and Focused Libraries (R Crossley & M Slater) # Knowledge-based Approaches: An Overview (J Mestres) # Natural Product Scaffolds and Protein Structure Similarity Clustering (PSSC) as Inspiration Sources for Compound Library Design in Chemogenomics and Drug Development (H Waldmann et al.) # Structural Informatics: Chemogenomics In Silico (D D Debe et al.) # In Silico Screening of the Protein Structure Repertoire and of Protein Families (D Rognan) # Compilation of Chemogenomics Screening Libraries (E Jacoby) # Virtual Screening by Similarity Searching (P Willett) # The Inpharmatica Pharmacata Approach (J Overinghton) # Construction of a Homogenous and Informative In Vitro Profiling Database for Anticipating the Clinical Effects of Drugs (N Froloff et al.) # Target- and Cell-Based Assays and Screening: Reverse Chemogenomics (R Bouhelal & D Frabbro)