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Center for the Development of Therapeutics

A Next Generation Connectivity Map: L1000 Platform And The First 1,000,000 Profiles
Subramanian A, Narayan R, Corsello SM, et al. A Next Generation Connectivity Map: L1000 Platform And The First 1,000,000 Profiles. In Press. doi:10.1101/136168.
Small-molecule studies identify CDK8 as a regulator of IL-10 in myeloid cells.
Johannessen, iv L, Sundberg TB, O'Connell DJ, et al. Small-molecule studies identify CDK8 as a regulator of IL-10 in myeloid cells. Nat Chem Biol. 2017;13(10):1102-1108. doi:10.1038/nchembio.2458.
Genomic activation of PPARG reveals a candidate therapeutic axis in bladder cancer.
Goldstein JT, Berger AC, Shih J, et al. Genomic activation of PPARG reveals a candidate therapeutic axis in bladder cancer. Cancer Res. 2017. doi:10.1158/0008-5472.CAN-17-1701.
Potential role of intratumor bacteria in mediating tumor resistance to the chemotherapeutic drug gemcitabine.
Geller LT, Barzily-Rokni M, Danino T, et al. Potential role of intratumor bacteria in mediating tumor resistance to the chemotherapeutic drug gemcitabine. Science. 2017;357(6356):1156-1160. doi:10.1126/science.aah5043.
A small-molecule allosteric inhibitor of Mycobacterium tuberculosis tryptophan synthase.
Wellington S, Nag PP, Michalska K, et al. A small-molecule allosteric inhibitor of Mycobacterium tuberculosis tryptophan synthase. Nat Chem Biol. 2017;13(9):943-950. doi:10.1038/nchembio.2420.
Genetic analysis in UK Biobank links insulin resistance and transendothelial migration pathways to coronary artery disease.
Klarin D, Zhu QMartin, Emdin CA, et al. Genetic analysis in UK Biobank links insulin resistance and transendothelial migration pathways to coronary artery disease. Nat Genet. 2017;49(9):1392-1397. doi:10.1038/ng.3914.
Identification of Highly Specific Diversity-Oriented Synthesis-Derived Inhibitors of Clostridium difficile.
Duvall JR, Bedard L, Naylor-Olsen AM, et al. Identification of Highly Specific Diversity-Oriented Synthesis-Derived Inhibitors of Clostridium difficile. ACS Infect Dis. 2017;3(5):349-359. doi:10.1021/acsinfecdis.6b00206.
The Drug Repurposing Hub: a next-generation drug library and information resource.
Corsello SM, Bittker JA, Liu Z, et al. The Drug Repurposing Hub: a next-generation drug library and information resource. Nat Med. 2017;23(4):405-408. doi:10.1038/nm.4306.
Selective Chemical Inhibition of PGC-1α Gluconeogenic Activity Ameliorates Type 2 Diabetes.
Sharabi K, Lin H, Tavares CDJ, et al. Selective Chemical Inhibition of PGC-1α Gluconeogenic Activity Ameliorates Type 2 Diabetes. Cell. 2017;169(1):148-160.e15. doi:10.1016/j.cell.2017.03.001.
A dataset of images and morphological profiles of 30,000 small-molecule treatments using the Cell Painting assay.
Bray M-A, Gustafsdottir SM, Ljosa V, et al. A dataset of images and morphological profiles of 30,000 small-molecule treatments using the Cell Painting assay. Gigascience. 2017. doi:10.1093/gigascience/giw014.
High Throughput Screening Methods: Evolution and Refinement
Bittker JA, Ross NT. High Throughput Screening Methods: Evolution and Refinement. Royal Society of Chemistry; 2017. doi:10.1039/9781782626770.
Structural and conformational determinants of macrocycle cell permeability.
Over B, Matsson P, Tyrchan C, et al. Structural and conformational determinants of macrocycle cell permeability. Nat Chem Biol. 2016;12(12):1065-1074. doi:10.1038/nchembio.2203.
Point mutations at the catalytic site of PCSK9 inhibit folding, autoprocessing, and interaction with the LDL receptor.
Garvie CW, Fraley CV, Elowe NH, et al. Point mutations at the catalytic site of PCSK9 inhibit folding, autoprocessing, and interaction with the LDL receptor. Protein Sci. 2016;25(11):2018-2027. doi:10.1002/pro.3019.
Diversity-oriented synthesis yields novel multistage antimalarial inhibitors.
Kato N, Comer E, Sakata-Kato T, et al. Diversity-oriented synthesis yields novel multistage antimalarial inhibitors. Nature. 2016;538(7625):344-349. doi:10.1038/nature19804.
Discovery of 8-Membered Ring Sulfonamides as Inhibitors of Oncogenic Mutant Isocitrate Dehydrogenase 1.
Law JM, Stark SC, Liu K, et al. Discovery of 8-Membered Ring Sulfonamides as Inhibitors of Oncogenic Mutant Isocitrate Dehydrogenase 1. ACS Med Chem Lett. 2016;7(10):944-949. doi:10.1021/acsmedchemlett.6b00264.
Inhibition of Dihydroorotate Dehydrogenase Overcomes Differentiation Blockade in Acute Myeloid Leukemia.
Sykes DB, Kfoury YS, Mercier FE, et al. Inhibition of Dihydroorotate Dehydrogenase Overcomes Differentiation Blockade in Acute Myeloid Leukemia. Cell. 2016;167(1):171-186.e15. doi:10.1016/j.cell.2016.08.057.
An Isochemogenic Set of Inhibitors To Define the Therapeutic Potential of Histone Deacetylases in β-Cell Protection.
Wagner FF, Lundh M, Kaya T, et al. An Isochemogenic Set of Inhibitors To Define the Therapeutic Potential of Histone Deacetylases in β-Cell Protection. ACS Chem Biol. 2016;11(2):363-74. doi:10.1021/acschembio.5b00640.
Identification of cancer-cytotoxic modulators of PDE3A by predictive chemogenomics.
de Waal L, Lewis TA, Rees MG, et al. Identification of cancer-cytotoxic modulators of PDE3A by predictive chemogenomics. Nat Chem Biol. 2016;12(2):102-8. doi:10.1038/nchembio.1984.
Correlating chemical sensitivity and basal gene expression reveals mechanism of action.
Rees MG, Seashore-Ludlow B, Cheah JH, et al. Correlating chemical sensitivity and basal gene expression reveals mechanism of action. Nat Chem Biol. 2016;12(2):109-16. doi:10.1038/nchembio.1986.
Harnessing Connectivity in a Large-Scale Small-Molecule Sensitivity Dataset.
Seashore-Ludlow B, Rees MG, Cheah JH, et al. Harnessing Connectivity in a Large-Scale Small-Molecule Sensitivity Dataset. Cancer Discov. 2015;5(11):1210-23. doi:10.1158/2159-8290.CD-15-0235.
Advancing Biological Understanding and Therapeutics Discovery with Small-Molecule Probes.
Schreiber SL, Kotz JD, Li M, et al. Advancing Biological Understanding and Therapeutics Discovery with Small-Molecule Probes. Cell. 2015;161(6):1252-65. doi:10.1016/j.cell.2015.05.023.
Niche-Based Screening in Multiple Myeloma Identifies a Kinesin-5 Inhibitor with Improved Selectivity over Hematopoietic Progenitors.
Chattopadhyay S, Stewart AL, Mukherjee S, et al. Niche-Based Screening in Multiple Myeloma Identifies a Kinesin-5 Inhibitor with Improved Selectivity over Hematopoietic Progenitors. Cell Rep. 2015. doi:10.1016/j.celrep.2015.01.017.
Target-based identification of whole-cell active inhibitors of biotin biosynthesis in Mycobacterium tuberculosis.
Park SWoong, Casalena DE, Wilson DJ, et al. Target-based identification of whole-cell active inhibitors of biotin biosynthesis in Mycobacterium tuberculosis. Chem Biol. 2015;22(1):76-86. doi:10.1016/j.chembiol.2014.11.012.
Kinetically Selective Inhibitors of Histone Deacetylase 2 (HDAC2) as Cognition Enhancers.
Wagner FF, Zhang Y-L, Fass DM, et al. Kinetically Selective Inhibitors of Histone Deacetylase 2 (HDAC2) as Cognition Enhancers. Chem Sci. 2015;6(1):804-815. doi:10.1039/C4SC02130D.
Modulators of hepatic lipoprotein metabolism identified in a search for small-molecule inducers of tribbles pseudokinase 1 expression.
Nagiec MM, Skepner AP, Negri J, et al. Modulators of hepatic lipoprotein metabolism identified in a search for small-molecule inducers of tribbles pseudokinase 1 expression. PLoS One. 2015;10(3):e0120295. doi:10.1371/journal.pone.0120295.
BioAssay Research Database (BARD): chemical biology and probe-development enabled by structured metadata and result types.
Howe EA, De Souza A, Lahr DL, et al. BioAssay Research Database (BARD): chemical biology and probe-development enabled by structured metadata and result types. Nucleic Acids Res. 2015;43(Database issue):D1163-70. doi:10.1093/nar/gku1244.
Benzo-fused lactams from a diversity-oriented synthesis (DOS) library as inhibitors of scavenger receptor BI (SR-BI)-mediated lipid uptake.
Dockendorff C, Faloon PW, Pu J, et al. Benzo-fused lactams from a diversity-oriented synthesis (DOS) library as inhibitors of scavenger receptor BI (SR-BI)-mediated lipid uptake. Bioorg Med Chem Lett. 2015;25(10):2100-5. doi:10.1016/j.bmcl.2015.03.073.
Identification of ATR-Chk1 pathway inhibitors that selectively target p53-deficient cells without directly suppressing ATR catalytic activity.
Kawasumi M, Bradner JE, Tolliday N, et al. Identification of ATR-Chk1 pathway inhibitors that selectively target p53-deficient cells without directly suppressing ATR catalytic activity. Cancer Res. 2014;74(24):7534-45. doi:10.1158/0008-5472.CAN-14-2650.
Single Diastereomer of a Macrolactam Core Binds Specifically to Myeloid Cell Leukemia 1 (MCL1).
Fang C, D'Souza B, Thompson CF, et al. Single Diastereomer of a Macrolactam Core Binds Specifically to Myeloid Cell Leukemia 1 (MCL1). ACS Med Chem Lett. 2014;5(12):1308-12. doi:10.1021/ml500388q.
An unbiased approach to identify endogenous substrates of "histone" deacetylase 8.
Olson DE, Udeshi ND, Wolfson NA, et al. An unbiased approach to identify endogenous substrates of "histone" deacetylase 8. ACS Chem Biol. 2014;9(10):2210-6. doi:10.1021/cb500492r.
Toward performance-diverse small-molecule libraries for cell-based phenotypic screening using multiplexed high-dimensional profiling.
Wawer MJ, Li K, Gustafsdottir SM, et al. Toward performance-diverse small-molecule libraries for cell-based phenotypic screening using multiplexed high-dimensional profiling. Proc Natl Acad Sci U S A. 2014;111(30):10911-6. doi:10.1073/pnas.1410933111.
Cyclin D1-Cdk4 controls glucose metabolism independently of cell cycle progression.
Lee Y, Dominy JE, Choi YJong, et al. Cyclin D1-Cdk4 controls glucose metabolism independently of cell cycle progression. Nature. 2014;510(7506):547-51. doi:10.1038/nature13267.
Impact of stereospecific intramolecular hydrogen bonding on cell permeability and physicochemical properties.
Over B, McCarren P, Artursson P, et al. Impact of stereospecific intramolecular hydrogen bonding on cell permeability and physicochemical properties. J Med Chem. 2014;57(6):2746-54. doi:10.1021/jm500059t.
A small-molecule inducer of PDX1 expression identified by high-throughput screening.
Yuan Y, Hartland K, Boskovic Z, et al. A small-molecule inducer of PDX1 expression identified by high-throughput screening. Chem Biol. 2013;20(12):1513-22. doi:10.1016/j.chembiol.2013.10.013.
Niche-based screening identifies small-molecule inhibitors of leukemia stem cells.
Hartwell KA, Miller PG, Mukherjee S, et al. Niche-based screening identifies small-molecule inhibitors of leukemia stem cells. Nat Chem Biol. 2013;9(12):840-848. doi:10.1038/nchembio.1367.
An interactive resource to identify cancer genetic and lineage dependencies targeted by small molecules.
Basu A, Bodycombe NE, Cheah JH, et al. An interactive resource to identify cancer genetic and lineage dependencies targeted by small molecules. Cell. 2013;154(5):1151-61. doi:10.1016/j.cell.2013.08.003.
An informatic pipeline for managing high-throughput screening experiments and analyzing data from stereochemically diverse libraries.
Mulrooney CA, Lahr DL, Quintin MJ, et al. An informatic pipeline for managing high-throughput screening experiments and analyzing data from stereochemically diverse libraries. J Comput Aided Mol Des. 2013;27(5):455-68. doi:10.1007/s10822-013-9641-y.
ML212: A small-molecule probe for investigating fluconazole resistance mechanisms in Candida albicans.
Youngsaye W, Hartland CL, Morgan BJ, et al. ML212: A small-molecule probe for investigating fluconazole resistance mechanisms in Candida albicans. Beilstein J Org Chem. 2013;9:1501-7. doi:10.3762/bjoc.9.171.
Overcoming fluconazole resistance in Candida albicans clinical isolates with tetracyclic indoles.
Youngsaye W, Dockendorff C, Vincent B, et al. Overcoming fluconazole resistance in Candida albicans clinical isolates with tetracyclic indoles. Bioorg Med Chem Lett. 2012;22(9):3362-5. doi:10.1016/j.bmcl.2012.02.035.
High-Throughput RT-PCR for small-molecule screening assays.
Bittker JA. High-Throughput RT-PCR for small-molecule screening assays. Curr Protoc Chem Biol. 2012;4(1):49-63. doi:10.1002/9780470559277.ch110204.
Development of small-molecule probes that selectively kill cells induced to express mutant RAS.
Weïwer M, Bittker JA, Lewis TA, et al. Development of small-molecule probes that selectively kill cells induced to express mutant RAS. Bioorg Med Chem Lett. 2012;22(4):1822-6. doi:10.1016/j.bmcl.2011.09.047.
Identification of small-molecule inhibitors of Trypansoma cruzi replication.
Germain AR, Carmody LC, Dockendorff C, et al. Identification of small-molecule inhibitors of Trypansoma cruzi replication. Bioorg Med Chem Lett. 2011;21(23):7197-200. doi:10.1016/j.bmcl.2011.09.057.
Piperazinyl quinolines as chemosensitizers to increase fluconazole susceptibility of Candida albicans clinical isolates.
Youngsaye W, Vincent B, Hartland CL, et al. Piperazinyl quinolines as chemosensitizers to increase fluconazole susceptibility of Candida albicans clinical isolates. Bioorg Med Chem Lett. 2011;21(18):5502-5. doi:10.1016/j.bmcl.2011.06.105.
Small-molecule inducers of insulin expression in pancreatic alpha-cells.
Fomina-Yadlin D, Kubicek S, Walpita D, et al. Small-molecule inducers of insulin expression in pancreatic alpha-cells. Proc Natl Acad Sci U S A. 2010;107(34):15099-104. doi:10.1073/pnas.1010018107.