Abstract

Extend a chemical biology information model currently used to analyze small-molecule screening data tothe area of synthetic organic chemistry, so that decisions in synthesis can be guided by empirical dataobtained from the small molecules synthesized in Projects 1, 2, among others. (Project 4)

  Funding Agency

Agency
National Institute of Health (NIH)
Institute
National Institute of General Medical Sciences (NIGMS)
Type
Specialized Center (P50)
Project #
2P50GM069721-07
Application #
7696771
Study Section
Special Emphasis Panel (ZGM1-PPBC-3 (CL))
Project Start
2008-09-30
Project End
2013-08-31
Budget Start
2008-09-30
Budget End
2009-08-31
Support Year
7
Fiscal Year
2008
Total Cost
$224,202
Indirect Cost

  Institution

Name
Massachusetts Institute of Technology
Department
Type
DUNS #
001425594
City
Cambridge
State
MA
Country
United States
Zip Code
02139

  Publications

Wawer, Mathias J; Jaramillo, David E; Dan?ík, Vlado et al. (2014) Automated Structure-Activity Relationship Mining: Connecting Chemical Structure to Biological Profiles. J Biomol Screen 19:738-48
Gerard, Baudouin; O'Shea, Morgan Welzel; Donckele, Etienne et al. (2014) Correction to Application of a Catalytic Asymmetric Povarov Reaction using Chiral Ureas to the Synthesis of a Tetrahydroquinoline Library. ACS Comb Sci 16:46
Bergonzini, Giulia; Schindler, Corinna S; Wallentin, Carl-Johan et al. (2014) Photoredox Activation and Anion Binding Catalysis in the Dual Catalytic Enantioselective Synthesis of ?-Amino Esters. Chem Sci 5:
Wawer, Mathias J; Li, Kejie; Gustafsdottir, Sigrun M et al. (2014) Toward performance-diverse small-molecule libraries for cell-based phenotypic screening using multiplexed high-dimensional profiling. Proc Natl Acad Sci U S A 111:10911-6
Over, Björn; McCarren, Patrick; Artursson, Per et al. (2014) Impact of stereospecific intramolecular hydrogen bonding on cell permeability and physicochemical properties. J Med Chem 57:2746-54
Xu, Hao; Zhang, Hu; Jacobsen, Eric N (2014) Chiral sulfinamidourea and strong Brønsted acid-cocatalyzed enantioselective Povarov reaction to access tetrahydroquinolines. Nat Protoc 9:1860-6
Frumm, Stacey M; Fan, Zi Peng; Ross, Kenneth N et al. (2013) Selective HDAC1/HDAC2 inhibitors induce neuroblastoma differentiation. Chem Biol 20:713-25
Rajapaksa, Naomi S; McGowan, Meredeth A; Rienzo, Matthew et al. (2013) Enantioselective total synthesis of (+)-reserpine. Org Lett 15:706-9
Wang, Yikai; Jimenez, Miguel; Sheehan, Patrick et al. (2013) Selective access to trisubstituted macrocyclic E- and Z-alkenes from the ring-closing metathesis of vinylsiloxanes. Org Lett 15:1218-21
Lalonde, Mathieu P; McGowan, Meredeth A; Rajapaksa, Naomi S et al. (2013) Enantioselective formal aza-Diels-Alder reactions of enones with cyclic imines catalyzed by primary aminothioureas. J Am Chem Soc 135:1891-4

Showing the most recent 10 out of 71 publications