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Shelat Lab: Publications

2019

  • Loh AHP, Stewart E, Bradley CL, Chen X, Daryani V, Stewart CF, Calabrese C, Funk A, Miller G, Karlstrom A, Krafcik F, Goshorn DR, Vogel P, Bahrami A, Shelat A, and Dyer MA. Combinatorial screening using orthotopic patient derived xenograft-expanded early phase cultures of osteosarcoma identify novel therapeutic drug combinations. Cancer Lett 442: 262-270, 2019.


2018

  • Ling, T, Maier J, Das S, Budhraja A, Bassett R, Potts MB, Shelat A, Rankovic Z, Opferman JT, and Rivas F. Identification of substituted 5-membered heterocyclic compounds as potential anti-leukemic agents. Eur J Med Chem 164: 391-398, 2018.

  • Stewart, E, McEvoy J, Wang H, Chen X, Honnell V, Ocarz M, Gordon B, Dapper J, Blankenship K, Yang Y, Li Y, Shaw TI,Cho JH, Wang X, Xu B, Gupta P, Fan Y, Liu Y, Rusch M, Griffiths L, Jeon J, Freeman BB 3rd, Clay MR, Pappo A, Easton J, Shurtleff S, Shelat A, Zhou X, Boggs K, Mulder H, Yergeau D, Bahrami A, Mardis, Wilson RK, Zhang J, Peng J, Downing JR, and Dyer MA. Identification of Therapeutic Targets in Rhabdomyosarcoma through Integrated Genomic, Epigenomic, and Proteomic Analyses. Cancer Cell 34(3): 411-426 e419, 2018.

  • Bharatham N, Slavish PJ, Shadrick WR, Young BM, and Shelat AA. The role of ZA channel water-mediated interactions in the design of bromodomain-selective BET inhibitors. J Mol Graph Model 81: 197-210, 2018.

  • Shadrick WR, Slavish PJ, Chai SC, Waddell B, Connelly M, Low JA, Tallant C, Young BM, Bharatham N, Knapp S, Boyd VA, Morfouace M, Roussel MF, Chen T, Lee RE, Guy RK, Shelat AA, and Potter PM. Exploiting a water network to achieve enthalpy-driven, bromodomain-selective BET inhibitors. Bioorg Med Chem 26(1): 25-36, 2018.

  • Diouf, B, Lin W, Goktug A, Grace CRR, Waddell MB, Bao J, Shao Y, Heath RJ, Zheng JJ, Shelat AA, Relling MV, Chen T, and Evans WE. Alteration of RNA Splicing by Small-Molecule Inhibitors of the Interaction between NHP2L1 and U4. SLAS Discov 23(2): 164-173, 2018.

  • Ling T, Lang W, Feng X, Das S, Maier J, Jeffries C, Shelat A, and Rivas F. Novel vitexin-inspired scaffold against leukemia. Eur J Med Chem 146: 501-510, 2018.

  • Nimmervoll BV, Boulos N, Bianski B, Dapper J, DeCuypere M, Shelat A, Terranova S, Terhune HE, Gajjar A, Patel YT, Freeman BB, Onar-Thomas A, Stewart CF, Roussel MF, Guy RK, Merchant TE, Calabrese C, Wright KD, and Gilbertson RJ. Establishing a Preclinical Multidisciplinary Board for Brain Tumors. Clin Cancer Res 24(7): 1654-1666, 2018.


2017

  • Ortiz D, Guiguemde WA, Hammill JT, Carrillo AK, Chen Y, Connelly M, Stalheim K, Elya C, Johnson A, Min J, Shelat A, Smithson DC, Yang L, Zhu F, Guy RK, and Landfear SM.Discovery of novel, orally bioavailable, antileishmanial compounds using phenotypic screening. PLoS Negl Trop Dis 11(12): e0006157, 2017.

  • Riniker S, Landrum GA, Montanari F, Villalba SD, Maier J, Jansen JM, Walters WP, and Shelat AA. Virtual-screening workflow tutorials and prospective results from the Teach-Discover-Treat competition 2014 against malaria. F1000Res 6: 1136, 2017.

  • Smallwood HS, Duan S, Morfouace M, Rezinciuc S, Shulkin BL, Shelat A, Zink EE, Milasta S, Bajracharya R, Oluwaseum AJ, Roussel MF, Green DR, Pasa-Tolic L, and Thomas PG. Targeting Metabolic Reprogramming by Influenza Infection for Therapeutic Intervention. Cell Rep 19(8): 1640-1653, 2017.

  • Stewart E, Federico SM, Chen X, Shelat AA, Bradley C, Gordon B, Karlstrom A, Twarog NR, Clay MR, Bahrami A, Freeman BB, Xu B, Zhou X, Wu J, Honnell V, Ocarz M, Blankenship K, Dapper J, Mardis ER, Wilson RK, Downing J, Zhang J, Easton J, Pappo A, and Dyer MA. Orthotopic patient-derived xenografts of paediatric solid tumours. Nature 549(7670): 96-100, 2017.

  • Genthe JR, Min J, Farmer DM, Shelat AA, Grenet JA, Lin W, Finkelstein D, Vrijens K, Chen T, Guy RK, Clements WK, and Roussel MF. Ventromorphins: A New Class of Small Molecule Activators of the Canonical BMP Signaling Pathway. ACS Chem Biol 12(9): 2436-2447, 2017.

  • Scott D, Hammill J, Min J, Rhee D, Connelly M, Sviderskiy V, Bhasin D, Chen Y, Ong S, Chai SC, Goktug A, Huang G, Monda J, Low J, Kim HS, Paulo JA, Cannon JR, Shelat A, Chen T, Kelsall IR, Alpi AF, Pagala V, Wang X, Peng J, Singh B, Harper JW, Schulman BA, and Guy RK. Targeting an N-terminal Acetylation Dependent Protein Interaction. Nat Chem Biol 13(8): 850-857, 2017.

  • Yang J, Milasta S, Hu D, AlTahan A, Interiano R, Zhou J, Davidson J, Low J, Lin W, Bao J, Goh P, Nathwani A, Wang R, Wang Y, Ong S, Boyd V, Young B, Das S, Shelat A, Wu Y, Li Z, Zheng J, Green D, White S, Guy RK, Chen T, Davidoff A, Mishra A, and Peng J. Targeting Histone Demethylases and Myc with the Small Molecule Ciclopirox. Cancer Res 77(17): 4626-4638, 2017.

  • Verras A, Waller CL, Gedeck P, Green DV, Kogej T, Raichurkar A, Panda, M, Shelat AA, Clark J, Guy RK, Papadatos G, and Burrows J. Shared Consensus Machine Learning Models for Predicting Blood Stage Malaria Inhibition. J Chem Inf Model. 2017;57(3):445-53. Epub 2017/03/04. doi: 10.1021/acs.jcim.6b00572. PubMed PMID: 28257198.


2016

  • Twarog NR, Stewart E, Hammill CV, and Shelat AA. BRAID: A Unifying Paradigm for the Analysis of Combined Drug Action. Scientific reports. 2016;6:25523. Epub 2016/05/11. doi: 10.1038/srep25523. PubMed PMID: 27160857; PubMed Central PMCID: PMC4861905.

  • Drenberg, CD, Buaboonnam J, Orwick SJ, Hu S, Li L, Fan Y, Shelat AA, Guy RK, Rubnitz J, and Baker SD. Evaluation of artemisinins for the treatment of acute myeloid leukemia. Cancer chemotherapy and pharmacology. 2016;77(6):1231-43. Epub 2016/04/30. doi: 10.1007/s00280-016-3038-2. PubMed PMID: 27125973; PubMed Central PMCID: PMC4918815.

  • Zhang, J, Bowling JJ, Smithson D, Clark J, Jacob MR, Khan SI, Tekwani BL, Connelly M, Samoylenko V, Ibrahim MA, Zaki MA, Wang M, Hester JP, Tu Y, Jeffries C, Twarog N, Shelat AA, Walker LA, Muhammad I and Guy RK. Diversity-oriented natural product platform identifies plant constituents targeting Plasmodium falciparum. Malaria journal. 2016;15(1):270. Epub 2016/05/12. doi: 10.1186/s12936-016-1313-7. PubMed PMID: 27165106; PubMed Central PMCID: PMC4863362.

  • Twarog NR, Low JA, Currier DG, Miller G, Chen T, Shelat AA. Robust Classification of Small-Molecule Mechanism of Action Using a Minimalist High-Content Microscopy Screen and Multidimensional Phenotypic Trajectory Analysis. PLoS One. 2016;11(2):e0149439. Epub 2016/02/18. doi: 10.1371/journal.pone.0149439. PubMed PMID: 26886014; PubMed Central PMCID: PMC4757101.

  • Ling T, Gautam LN, Griffith E, Das S, Lang W, Shadrick WR, Shelat A, and Rivas F. Synthesis and evaluation of colletoic acid core derivatives. European journal of medicinal chemistry. 2016;110:126-32. Epub 2016/01/29. doi: 10.1016/j.ejmech.2016.01.027. PubMed PMID: 26820555.

  • Kovar, H, Amatruda J, Brunet E, Burdach S, Cidre-Aranaz F, de Alava E, Dirksen U, van der Ent W, Grohar P, Grunewald TG, Helman L, Houghton P, Iljin K, Korsching E, Ladanyi M, Lawlor E, Lessnick S, Ludwig J, Meltzer P, Metzler M, Mora J, Moriggl R, Nakamura T, Papamarkou T, Radic Sarikas B, Redini F, Richter GH, Rossig C, Schadler K, Schafer BW, Scotlandi K, Sheffield NC, Shelat A, Snaar-Jagalska E, Sorensen P, Stegmaier K, Stewart E, Sweet-Cordero A, Szuhai K, Tirado OM, Tirode F, Toretsky J, Tsafou K, Uren A, Zinovyev A and Delattre O. The second European interdisciplinary Ewing sarcoma research summit - A joint effort to deconstructing the multiple layers of a complex disease. Oncotarget. 2016;7(8):8613-24. Epub 2016/01/24. doi: 10.18632/oncotarget.6937. PubMed PMID: 26802024.


2015

  • Morfouace M, Cheepala S, Jackson S, Fukuda Y, Patel YT, Fatima S, Kawauchi D, Shelat AA, Stewart CF, Sorrentino BP, Schuetz JD, Roussel MF. ABCG2 Transporter Expression Impacts Group 3 Medulloblastoma Response to Chemotherapy. Cancer Res 75(18):3879-89, 2015.

  • Gupte A, Baker EK, Wan SS, Stewart E, Loh A, Shelat AA, Gould CM, Chalk AM, Taylor S, Lackovic K, Karlström Å, Mutsaers AJ, Desai J, Madhamshettiwar PB, Zannettino AC, Burns C, Huang DC, Dyer MA, Simpson KJ, Walkley CR. Systematic Screening Identifies Dual PI3K and mTOR Inhibition as a Conserved Therapeutic Vulnerability in Osteosarcoma. Clin Cancer Res 21(14):3216-29, 2015.

  • Iconaru LI, Ban D, Bharatham K, Ramanathan A, Zhang W, Shelat AA, Zuo J, Kriwacki RW. Discovery of Small Molecules that Inhibit the Disordered Protein, p27(Kip1). Sci Rep 5:15686, 2015.  

  • Stewart E, Federico S, Karlstrom A, Shelat A, Sablauer A, Pappo A, Dyer MA. The childhood solid tumor network: A new resource for the developmental biology and oncology research communities.Dev Biol Apr 9, 2015. Epub ahead of print. pii:S0012-1606(15)00060-3. doi:10.1016/j.ydbio.2015.02.002.


2014

  • Stewart E, Goshorn R, Bradley C, Griffiths LM, Benavente C, Twarog NR, Miller GM, Caufield W, Freeman BB 3rd, Bahrami A, Pappo A, Wu J, Loh A, Karlstrom A, Calabrese C, Gordon B, Tsurkan L, Hatfield MJ, Potter PM, Snyder SE, Thiagarajan S, Shirinifard A, Sablauer A, Shelat AA, Dyer MA. Targeting the DNA Repair Pathway in Ewing Sarcoma. Cell Rep 9(3):829-840, 2014.

  • Morfouace M, Shelat A, Jacus M, Freeman BB 3rd, Turner D, Robinson S, Zindy F, Wang YD, Finkelstein D, Ayrault O, Bihannic L, Puget S, Li XN, Olson JM, Robinson GW, Guy RK, Stewart CF, Gajjar A, Roussel MF. Pemetrexed and gemcitabine as combination therapy for the treatment of Group3 medulloblastoma. Cancer Cell 25(4):516-529, 2014.

  • Guo K, Shelat AA, Guy RK, Kastan MB. Development of a cell-based, high-throughput screening assay for ATM kinase inhibitors. J Biomol Screen 19(4):538-546, 2014.

  • Yang J, Liang Q, Wang M, Jeffries C, Smithson D, Tu Y, Boulos N, Jacob MR, Shelat AA, Wu Y, Ravu RR, Gilbertson R, Avery MA, Khan IA, Walker LA, Guy RK, Li XC. UPLC-MS-ELSD-PDA as a powerful dereplication tool to facilitate compound identification from small-molecule natural product libraries. J Nat Prod 77(4):902-909, 2014.

  • Bharatham N, Bharatham K, Shelat AA, Bashford D. Ligand binding mode prediction by docking: mdm2/mdmx inhibitors as a case study. J Chem Inf Model 54(2):648-659, 2014.

  • Singh H, Shelat AA, Singh A, Boulos N, Williams RT, Guy RK. A screening-based approach to circumvent tumor microenvironment-driven intrinsic resistance to BCR-ABL+ inhibitors in Ph+ acute lymphoblastic leukemia. J Biomol Screen 19(1):158-167, 2014.


2013

  • Chen X, Stewart E, Shelat AA, Qu C, Bahrami A, Hatley M, Wu G, Bradley C, McEvoy J, Pappo A, Spunt S, Valentine MB, Valentine V, Krafcik F, Lang WH, Wierdl M, Tsurkan L, Tolleman V, Federico SM, Morton C, Lu C, Ding L, Easton J, Rusch M, Nagahawatte P, Wang J, Parker M, Wei L, Hedlund E, Finkelstein D, Edmonson M, Shurtleff S, Boggs K, Mulder H, Yergeau D, Skapek S, Hawkins DS, Ramirez N, Potter PM, Sandoval JA, Davidoff AM, Mardis ER, Wilson RK, Zhang J, Downing JR, Dyer MA. Targeting oxidative stress in embryonal rhabdomyosarcoma. Cancer Cell 24(6):710-724, 2013.

  • McCoy F, Darbandi R, Lee HC, Bharatham K, Moldoveanu T, Grace CR, Dodd K, Lin W, Chen SI, Tangallapally RP, Kurokawa M, Lee RE, Shelat AA, Chen T, Green DR, Harris RA, Lin SH, Fissore RA, Colbran RJ, Nutt LK. Metabolic activation of CaMKII by coenzyme A. Mol Cell 52(3):325-339, 2013.

  • Tseng YJ, Martin E, Bologa CG, Shelat AA. Cheminformatics aspects of high throughput screening: from robots to models: symposium summary. J Comput Aided Mol Des 27(5):443-453, 2013.

  • Vrijens K, Lin W, Cui J, Farmer D, Low J, Pronier E, Zeng FY, Shelat AA, Guy K, Taylor MR, Chen T, Roussel MF. Identification of small molecule activators of BMP signaling. PLoS One 8(3):e59045, 2013.


2012

  • Guiguemde WA, Shelat AA, Garcia-Bustos JF, Diagana TT, Gamo FJ, Guy RK. Global phenotypic screening for antimalarials. Chem Biol 19(1):116-29, 2012.


2011

  • Atkinson JM, Shelat AA, Carcaboso AM, Kranenburg TA, Arnold LA, Boulos N, Wright K, Johnson RA, Poppleton H, Mohankumar KM, Feau C, Phoenix T, Gibson P, Zhu L, Tong Y, Eden C, Ellison DW, Priebe W, Koul D, Yung WK, Gajjar A, Stewart CF, Guy RK, Gilbertson RJ. An integrated in vitro and in vivo high-throughput screen identifies treatment leads for ependymoma. Cancer Cell 20(3):384-99, 2011.

  • Cui J, Chai SC, Shelat AA, Guy RK, Chen T. An automated approach to efficiently reformat a large collection of compounds. Curr Chem Genomics 5:42-7, 2011.

  • Bouck DC, Shu P, Cui J, Shelat A, Chen T. A high-content screen identifies inhibitors of nuclear export of forkhead transcription factors. J Biomol Screen 16(4):394-404, 2011.


2010

  • Guiguemde WA, Shelat AA, Bouck D, Duffy S, Crowther GJ, Davis PH, Smithson DC, Connelly M, Clark J, Zhu F, Jimenez-Diaz MB, Martinez MS, Wilson EB, Tripathi AK, Gut J, Sharlow ER, Bathurst I, El Mazouni F, Fowble JW, Forquer I, McGinley PL, Castro S, Angulo-Barturen I, Ferrer S, Rosenthal PJ, Derisi JL, Sullivan DJ, Lazo JS, Roos DS, Riscoe MK, Phillips MA, Rathod PK, Van Voorhis WC, Avery VM, Guy RK. Chemical genetics of Plasmodium falciparum. Nature 465(7296):311-5, 2010.

  • Tu Y, Jeffries C, Ruan H, Nelson C, Smithson D, Shelat AA, Brown KM, Li XC, Hester JP, Smillie T, Khan IA, Walker L, Guy K, Yan B. Automated High-Throughput System to Fractionate Plant Natural Products for Drug Discovery. J Nat Prod 73(4):751-4, 2010.


2009

  • Shelat AA, Guy RK. A road less traveled by: exploring a decade of Ellman chemistry. Bioorg Med Chem 17(3):1088-93, 2009.


2008

  • Mallari JP, Shelat AA, Obrien T, Caffrey CR, Kosinski A, Connelly M, Harbut M, Greenbaum D, McKerrow JH, Guy RK. Development of potent purine-derived nitrile inhibitors of the trypanosomal protease TbcatB. J Med Chem 51(3):545-52, 2008.

  • Mallari JP, Shelat A, Kosinski A, Caffrey CR, Connelly M, Zhu F, McKerrow JH, Guy RK. Discovery of trypanocidal thiosemicarbazone inhibitors of rhodesain and TbcatB. Bioorg Med Chem Lett 18(9):2883-5, 2008.


2007

  • Shelat AA, Guy RK. Scaffold composition and biological relevance of screening libraries. Nat Chem Biol 3(8):442-6, 2007.

  • Shelat AA, Guy RK. The interdependence between screening methods and screening libraries. Curr Opin Chem Biol 11(3):244-51, 2007.

  • Fujii N, Shelat A, Hall RA, Guy RK. Design of a selective chemical probe for class I PDZ domains. Bioorg Med Chem Lett 17(2):546-8, 2007.