ECCR Overview/MLSCN

NIH Roadmap Series of initiatives designed to pursue major opportunities in biomedical research and gaps in current knowledge that cannot be addressed by any single NIH Institute or Center Series of initiatives designed to pursue major opportunities in biomedical research and gaps in current knowledge that cannot be addressed by any single NIH Institute or Center Goal: enable rapid transformation of new scientific knowledge into tangible benefits for public health Goal: enable rapid transformation of new scientific knowledge into tangible benefits for public health

NIH Roadmap Molecular Libraries Initiative (MLI) A series of integrated research programs with the goal of making small molecule screening and screening data more widely available to the research community A series of integrated research programs with the goal of making small molecule screening and screening data more widely available to the research community braries/index.asp braries/index.asp braries/index.asp braries/index.asp

MLI Aims Go beyond the identification of compounds with potential therapeutic properties Go beyond the identification of compounds with potential therapeutic properties Identify compounds to use as probes to study cellular processes in health and disease Identify compounds to use as probes to study cellular processes in health and disease Biological screening data, assay protocols, and chemical structures for compounds to be publicly available in PubChem Biological screening data, assay protocols, and chemical structures for compounds to be publicly available in PubChem

NIH MLI Components Molecular Libraries Screening Center Network (MLSCN) Molecular Libraries Screening Center Network (MLSCN) Cheminformatics (centered around PubChem) Cheminformatics (centered around PubChem) Technology development Technology development

Roadmap MLI Funded Areas Exploratory Centers for Cheminformatics Research at: Exploratory Centers for Cheminformatics Research at: –Indiana University –University of Michigan –Rensselaer Polytechnic Institute –MIT –North Carolina State University, Raleigh –University of North Carolina, Chapel Hill

NIH MLI Technology Development Areas Chemical diversity Chemical diversity –Pilot-scale libraries for investigation of novel chemical diversity space –Novel methods for natural product chemistry Development of assays Development of assays Novel instrumentation and detection technologies for high throughput screening Novel instrumentation and detection technologies for high throughput screening Datasets and algorithms for better prediction of absorption, distribution, metabolism, excretion, and toxicity properties of small molecules Datasets and algorithms for better prediction of absorption, distribution, metabolism, excretion, and toxicity properties of small molecules

Roadmap MLI Funded Areas Molecular Libraries Screening Centers (MLSCN) Molecular Libraries Screening Centers (MLSCN) –Ten of them at academic institutions –NIH Chemical Genomics Center braries/fundedresearch.asp braries/fundedresearch.asp braries/fundedresearch.asp braries/fundedresearch.asp