The pharmaceutical industry relies on numerous well-designed experiments involving high-throughput techniques and in silico approaches to analyse potential drug targets. These in silico methods are often predictive, yielding faster and less expensive analyses than traditional in vivo or in vitro procedures. "In Silico Technologies in Drug Target Identification and Validation" addresses the challenge of testing a growing number of new potential targets and reviews currently available in silico approaches for identifying and validating these targets. The book emphasizes computational tools, public and commercial databases, mathematical methods, and software for interpreting complex experimental data. It describes how these tools are used to visualize a target structure, identify binding sites, and predict behavior. World-renowned researchers cover many topics not typically found in most informatics books, including functional annotation, siRNA design, pathways, text mining, ontologies, systems biology, database management, data pipelining, and pharmacogenomics.
Covering issues that range from prescreening target selection to genetic modeling and valuable data integration, "In Silico Technologies in Drug Target Identification and Validation" is a self-contained and practical guide to the various computational tools that can accelerate the identification and validation stages of drug target discovery and determine the biological functionality of potential targets more effectively.
Foreword; R. Schneider and H. Voss Preface; D. Leon and S. Markel Introduction; D. Leon PART I: Target Identification Pattern Matching;S. Markel and V.N. Rajapakse Tools for Computational Protein Annotation and Functional Assignment; J. M. Canaves The Impact of Genetic Variation on Drug Discovery and Development; M.R. Barnes Mining of Gene Expression Data; A. Brazma and A. Culhane PART II: Target Validation Text Mining; W. Hayes, R. M. Podowski, and B. Gomes Pathways and Networks; E. Minch and I. Vacheva Molecular Interactions: Learning from Protein Complexes; A. Rojas, D. de Juan, and A. Valencia In Silico siRNA Design; D. Leon Predicting Protein Subcellular Localization Using Intelligent Systems; R. Nair and B. Rost Three-Dimensional Structures in Target Discovery and Validation; S.I. O'Donoghue, R.B. Russell, and A. Schafferhans PART III: Recent Trends Comparative Genomics; C. Sears, V. Siino, and B. Pascal Pharmacogenomics; B.G. Kermani Target Identification and Validation Using Human Simulation Models; S. Michelson, A.L. Bangs, and D. Scherrer Using Protein Targets for In Silico Structure-Based Drug Discovery; T. Hurst PART IV: Computational Infrastructure Database Management; A. Kasprzyk and D. Smedley BioIT Hardware Configuration; P. Miller BioIT Architecture: Software Architecture for Bioinformatics Research; M. Dickson Workflows and Data Pipelines; M. Peeler Ontologies; R.A. McEntire and R. Stevens Index