High Throughput-Screening in Drug Discovery is a professional guide to successful compound screening in pharmaceutical research and chemical biology.

Features:

• Includes the chemoinformatic tools needed for correct data evaluation
• Discusses such factors as chemical genetics, binding, cell-based and biochemical assays, the efficient use of compound libraries and data mining using cell-based assay results

Contents

Chemical Genetics: Use of High-throughput Screening to Identify Small-molecule Modulators of Proteins Involved in Cellular Pathways with the Aim of Uncovering Protein Function

• Classical and Chemical Genetics
• Identifying Bioactive Molecules
• Target Identification
• Discovery for Basic Research Versus Pharmacotherapy Goals
• Chemical Genetic Screens in the Academic Setting

High-throughput Screening for Targeted Lead Discovery

• Chemical Libraries for High-throughput Screening
• Properties of Lead Structures
• Challenges to High-throughput Screening
• Assay Technologies for High-throughput Screening
• Laboratory Automation
• From Target Selection to Confirmed Hits – the HTS Workflow and its Vocabulary
• Separating Specific Modulators from Off-Target Effects
• Data Analysis and Screening Results

Tools and Technologies that Facilitate Automated Screening

• Sample Carriers
• Liquid Handling Tools
• Detection Technologies
• Laboratory Robotics

Functional Cell-based Assays for Targeted Lead Discovery in High-throughput Screening

• Reporter Gene Technologies
• Membrane Potential Indicators
• Ca2+ Indicators

Biochemical Assays for High-throughput Screening

• General Considerations for Biochemical High-throughput Screening
• Expression and Purification of Recombinant Enzymes
• Peptidases
• Oxidoreductases
• Transferases, Synthetases and Lipid-modifying Enzymes
• Kinases
• Pitfalls and Reasons for Assay Development Failures

Image-based High-content Screening – A View from Basic Sciences

• HCS Systems Employing Confocal Optical Technologies
• Single-point Scanning Technology
• Line Scanning Technology
• Multi-beam Technology
• Structured Illumination
• Summary and Perspectives

Methods for Statistical Analysis, Quality Assurance and Management of Primary High-throughput Screening Data

• Statistical Considerations in Assay Development
• Data Acquisition, Data Preprocessing, and HTS Data Analysis Environment
• Data Normalization
• Robust Statistics in HTS Data Analysis
• Measures of HTS Data Quality, Signaling of Possible QC Problems, Visualizations
• Correction of Position-dependent Response Effects
• Hit Identification and Hit Scoring

Chemoinformatic Tools for High-throughput Screening Data Analysis

• Workflow of High-throughput Screening and Use of Chemoinformatics
• Chemoinformatic Methods Used in HTS Workflow
• Chemoinformatic Methods in the Design of a Screening Library
• Integrated Software Packages

Combinatorial Chemistry and High-throughput Screening

• Categories of Compound Libraries for High-throughput Screening
• Synthesis Techniques and Library Formats
• Library Design and Profiling Approaches
• Impact of Combinatorial Libraries on Drug Discovery

High-throughput Screening and Data Analysis

• Analysis of Cellular Screening Data
• Massively Parallel Cellular Screens
• Systematic Serendipity

Index

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