title: Selecting, Acquiring, and Using Small Molecule Libraries for High-Throughput Screening.
abstract: The selection, acquisition and use of high quality small molecule libraries for screening is an essential aspect of drug discovery and chemical biology programs. Screening libraries continue to evolve as researchers gain a greater appreciation of the suitability of small molecules for specific biological targets, processes and environments. The decisions surrounding the make-up of any given small molecule library is informed by a multitude of variables and opinions vary on best-practices. The fitness of any collection relies upon upfront filtering to avoiding problematic compounds, assess appropriate physicochemical properties, install the ideal level of structural uniqueness and determine the desired extent of molecular complexity. These criteria are under constant evaluation and revision as academic and industrial organizations seek out collections that yield ever improving results from their screening portfolios. Practical questions including cost, compound management, screening sophistication and assay objective also play a significant role in the choice of library composition. This overview attempts to offer advice to all organizations engaged in small molecule screening based upon current best practices and theoretical considerations in library selection and acquisition.
authors.affiliation: Chemical Biology Platform, The Broad Institute of MIT and Harvard, 7 Cambridge Center, Cambridge Massachusetts 02142 USA.
authors.forename: Sivaraman
authors.initials: S
authors.lastname: Dandapani
authors.affiliation: Dart NeuroScience LLC, 7473 Lusk Boulevard, San Diego, CA 92121 USA.
authors.forename: Gerard
authors.initials: G
authors.lastname: Rosse
authors.affiliation: NIH Chemical Genomics Center, National Human Genome Research Institute, 9800 Medical Center Drive, MSC 3370 Bethesda, MD 20892-3370 USA.
authors.forename: Noel
authors.initials: N
authors.lastname: Southall
authors.affiliation: Alliance Discovery, Inc, Biotechnology Center 3805 Old Easton Road, Doylestown, PA 18902 USA.
authors.forename: Joseph M
authors.initials: JM
authors.lastname: Salvino
authors.affiliation: NIH Chemical Genomics Center, National Human Genome Research Institute, 9800 Medical Center Drive, MSC 3370 Bethesda, MD 20892-3370 USA.
authors.forename: Craig J
authors.initials: CJ
authors.lastname: Thomas