Organizing Bioactive Compound Discovery in Target Families -- Compound Library Design for Target Families -- Targeting the Purinome -- Cofactor Chemogenomics -- Chemogenomics with Protein Secondary-Structure Mimetics -- Database Systems for Knowledge-Based Discovery -- Knowledge-Based Virtual Screening: Application to the MDM4/p53 Protein-Protein Interaction -- Off-Target Networks Derived from Ligand Set Similarity -- Chemogenomic Analysis of Safety Profiling Data -- Network and Pathway Analysis of Compound-Protein Interactions -- The Flexible Pocketome Engine for Structural Chemogenomics -- Structure-Based Chemogenomics: Analysis of Protein Family Landscapes -- Hypothesis-Driven Screening.

The establishment, analysis, prediction, and expansion of a comprehensive ligand-target Structure-Activity Relationship (SAR) in the post-genomic era presents a key research challenge for this century. In Chemogenomics: Methods and Applications, experts from academia and industry explore cutting-edge in vitro and in silico approaches available today and outline the relevant aspects of chemistry, biology, and molecular informatics which are the cornerstones of chemogenomics, thus combining introductory concepts with detailed methods and protocols. Covering topics such as target family-oriented compound library design, drug discovery targeting the purinome and co-factor binding sites, as well as the pocketome engine and molecular interaction field approaches, the book emphasizes systemization as an advantage to furthering the difficult science of drug discovery. As a volume in the highly successful Methods in Molecular Biology™ series format, this work provides the kind of detailed description and implementation advice that is crucial for getting optimal results. Authoritative and practical, Chemogenomics: Methods and Applications presents content which will be of enormous value to those striving for the discovery of new and better therapies for diseases.