The Emory Chemistry-Biology Center is dedicated to working within the framework of the MLSCN to develop, at a minimum, the capacity to identify and provide ten probes for novel targets by the end of year one, and 20 probes annually by the end of year three. The Center is specifically designed to operate as a synergistic MLSCN component to facilitate: a) the discovery of small molecule tools for basic research, therapeutic development and diagnostic assays; b) annotation of chemical libraries for their biological activities; and c) organization of data for ease of public sharing and analysis. While we have the capability to adapt and optimize all target-based and phenotypic assays selected by the MLSCN, we have identified protein-protein interactions for small molecule discovery as our Center's theme. This is an area likely to impact a broad range of biological regulatory systems with significant potential for future drug discovery. We currently have a fully operational HTS Center and 100,000 compound small molecule diversity library. The Center's chemical synthesis group approaches probe discovery with a molecular optimization strategy that is efficient and adds value at every step. The Chemical and Bioinformatics team will integrate HTS, compound registration and tracking, virtual screening, chemical synthesis, data analysis, and communication with PubChem and the other MLSCN centers. The locally generated assay data will be formatted to link it with molecular structure to enable a) querying structures and data across the entire range of assays; and b) structure-activity relationships. Coordination of the Center's activities will be closely monitored by the Administrative Function, with the goal of creating an environment that speeds the discovery process for useful molecular reagents and tools targeted to proteins of unusual biommedical interest. The Center's proposed intellectual property plan is designed to incentivize investigators to submit high-quality assays to MLSCN and to maximize the impact of the MLSCN strategy on health. ? ? ?
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