Abstract

UNIT 4. INFORMATICSThe Informatics Unit will be responsible for uploading data into PubChem and for providing and maintaining aneffective data management system for data processing and for tracking compounds, assays, data and relatedinformation for the Burnham Center. By leveraging our pre-existing expertise and commercial datamanagement technologies, we successfully built an effective and scalable system in the first year of MLSCNoperation. The system has been extensively customized to handle the challenges arising from exponentiallyincreasing volume, complexity, and diversity of data. In parallel, we have developed significant expertise andestablished the best practices for high-quality data transfer to PubChem. Altogether, Unit 4 has demonstratedadvanced informatics capabilities and is ready to scale to the Production Phase of MLPCN.

  Funding Agency

Agency
National Institute of Health (NIH)
Institute
National Human Genome Research Institute (NHGRI)
Type
Specialized Center--Cooperative Agreements (U54)
Project #
1U54HG005033-01
Application #
7695872
Study Section
Special Emphasis Panel (ZRG1-IFCN-K (52))
Project Start
2008-09-01
Project End
2014-05-31
Budget Start
2008-09-01
Budget End
2009-05-31
Support Year
1
Fiscal Year
2008
Total Cost
$455,254
Indirect Cost

  Institution

Name
Sanford-Burnham Medical Research Institute
Department
Type
DUNS #
020520466
City
La Jolla
State
CA
Country
United States
Zip Code
92037

  Publications

Lv, Zongyang; Yuan, Lingmin; Atkison, James H et al. (2018) Molecular mechanism of a covalent allosteric inhibitor of SUMO E1 activating enzyme. Nat Commun 9:5145
Pinkerton, Anthony B; Sergienko, Eduard; Bravo, Yalda et al. (2018) Discovery of 5-((5-chloro-2-methoxyphenyl)sulfonamido)nicotinamide (SBI-425), a potent and orally bioavailable tissue-nonspecific alkaline phosphatase (TNAP) inhibitor. Bioorg Med Chem Lett 28:31-34
Pagano, Nicholas; Teriete, Peter; Mattmann, Margrith E et al. (2017) An integrated chemical biology approach reveals the mechanism of action of HIV replication inhibitors. Bioorg Med Chem 25:6248-6265
Oellrich, Anika; Collier, Nigel; Groza, Tudor et al. (2016) The digital revolution in phenotyping. Brief Bioinform 17:819-30
Ma, Chen-Ting; Sergienko, Eduard A (2016) Time-Resolved Fluorescence Assays. Methods Mol Biol 1439:131-42
Roy, Sudeshna; Šileikyt?, Justina; Neuenswander, Benjamin et al. (2016) N-Phenylbenzamides as Potent Inhibitors of the Mitochondrial Permeability Transition Pore. ChemMedChem 11:283-8
Barak, Larry S; Bai, Yushi; Peterson, Sean et al. (2016) ML314: A Biased Neurotensin Receptor Ligand for Methamphetamine Abuse. ACS Chem Biol 11:1880-90
Roy, Sudeshna; Šileikyt?, Justina; Schiavone, Marco et al. (2015) Discovery, Synthesis, and Optimization of Diarylisoxazole-3-carboxamides as Potent Inhibitors of the Mitochondrial Permeability Transition Pore. ChemMedChem 10:1655-71
Musumeci, Lucia; Kuijpers, Marijke J; Gilio, Karen et al. (2015) Dual-specificity phosphatase 3 deficiency or inhibition limits platelet activation and arterial thrombosis. Circulation 131:656-68
Schreiber, Stuart L; Kotz, Joanne D; Li, Min et al. (2015) Advancing Biological Understanding and Therapeutics Discovery with Small-Molecule Probes. Cell 161:1252-65

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