ECCR ECCR Overview/MLSCNOverview/MLSCN

NIH RoadmapNIH Roadmap

Series of initiatives designed to Series of initiatives designed to pursue major opportunities in pursue major opportunities in biomedical research and gaps in biomedical research and gaps in current knowledge that cannot be current knowledge that cannot be addressed by any single NIH Institute addressed by any single NIH Institute or Centeror Center

Goal: enable rapid transformation of Goal: enable rapid transformation of new scientific knowledge into new scientific knowledge into tangible benefits for public healthtangible benefits for public health

http://nihroadmap.nih.gov/http://nihroadmap.nih.gov/

NIH Roadmap NIH Roadmap Molecular Libraries Molecular Libraries Initiative (MLI)Initiative (MLI) A series of integrated research A series of integrated research

programs with the goal of making programs with the goal of making small molecule screening and small molecule screening and screening data more widely screening data more widely available to the research available to the research communitycommunity

http://nihroadmap.nih.gov/molecuhttp://nihroadmap.nih.gov/molecularlibraries/index.asplarlibraries/index.asp

MLI AimsMLI Aims

Go beyond the identification of Go beyond the identification of compounds with potential therapeutic compounds with potential therapeutic propertiesproperties

Identify compounds to use as probes to Identify compounds to use as probes to study cellular processes in health and study cellular processes in health and diseasedisease

Biological screening data, assay Biological screening data, assay protocols, and chemical structures for protocols, and chemical structures for compounds to be publicly available in compounds to be publicly available in PubChemPubChem

NIH MLI ComponentsNIH MLI Components

Molecular Libraries Screening Molecular Libraries Screening Center Network (MLSCN)Center Network (MLSCN)

Cheminformatics (centered Cheminformatics (centered around PubChem)around PubChem)

Technology developmentTechnology development

Roadmap MLI Funded Roadmap MLI Funded AreasAreas Exploratory Centers for Exploratory Centers for

Cheminformatics Research at:Cheminformatics Research at:– Indiana UniversityIndiana University– University of MichiganUniversity of Michigan– Rensselaer Polytechnic InstituteRensselaer Polytechnic Institute– MITMIT– North Carolina State University, RaleighNorth Carolina State University, Raleigh– University of North Carolina, Chapel HillUniversity of North Carolina, Chapel Hill

NIH MLI Technology NIH MLI Technology Development AreasDevelopment Areas Chemical diversityChemical diversity

– Pilot-scale libraries for investigation of novel Pilot-scale libraries for investigation of novel chemical diversity spacechemical diversity space

– Novel methods for natural product chemistryNovel methods for natural product chemistry Development of assaysDevelopment of assays Novel instrumentation and detection Novel instrumentation and detection

technologies for high throughput screeningtechnologies for high throughput screening Datasets and algorithms for better Datasets and algorithms for better

prediction of absorption, distribution, prediction of absorption, distribution, metabolism, excretion, and toxicity metabolism, excretion, and toxicity properties of small moleculesproperties of small molecules

Roadmap MLI Funded Roadmap MLI Funded AreasAreas Molecular Libraries Screening Molecular Libraries Screening

Centers (MLSCN)Centers (MLSCN)– Ten of them at academic institutionsTen of them at academic institutions– NIH Chemical Genomics CenterNIH Chemical Genomics Center

http://www.ncgc.nih.gov/http://www.ncgc.nih.gov/

http://nihroadmap.nih.gov/molecuhttp://nihroadmap.nih.gov/molecularlibraries/fundedresearch.asplarlibraries/fundedresearch.asp