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Items: 1 to 20 of 88


An unbiased metric of antiproliferative drug effect in vitro.

Harris LA, Frick PL, Garbett SP, Hardeman KN, Paudel BB, Lopez CF, Quaranta V, Tyson DR.

Nat Methods. 2016 Jun;13(6):497-500. doi: 10.1038/nmeth.3852. Epub 2016 May 2.


Growth rate inhibition metrics correct for confounders in measuring sensitivity to cancer drugs.

Hafner M, Niepel M, Chung M, Sorger PK.

Nat Methods. 2016 Jun;13(6):521-7. doi: 10.1038/nmeth.3853. Epub 2016 May 2.


Discovery and computer aided potency optimization of a novel class of small molecule CXCR4 antagonists.

Vinader V, Ahmet DS, Ahmed MS, Patterson LH, Afarinkia K.

PLoS One. 2013 Oct 18;8(10):e78744. doi: 10.1371/journal.pone.0078744. eCollection 2013.


Ligand-based chemoinformatic discovery of a novel small molecule inhibitor targeting CDC25 dual specificity phosphatases and displaying in vitro efficacy against melanoma cells.

Capasso A, Cerchia C, Di Giovanni C, Granato G, Albano F, Romano S, De Vendittis E, Ruocco MR, Lavecchia A.

Oncotarget. 2015 Nov 24;6(37):40202-22. doi: 10.18632/oncotarget.5473.


Classifiers and their Metrics Quantified.

Brown JB.

Mol Inform. 2018 Jan;37(1-2). doi: 10.1002/minf.201700127. Epub 2018 Jan 23.


Discovery of diverse small molecule chemotypes with cell-based PKD1 inhibitory activity.

Sharlow ER, Mustata Wilson G, Close D, Leimgruber S, Tandon M, Reed RB, Shun TY, Wang QJ, Wipf P, Lazo JS.

PLoS One. 2011;6(10):e25134. doi: 10.1371/journal.pone.0025134. Epub 2011 Oct 5.


Novel Small Molecule Inhibitors of Choline Kinase Identified by Fragment-Based Drug Discovery.

Zech SG, Kohlmann A, Zhou T, Li F, Squillace RM, Parillon LE, Greenfield MT, Miller DP, Qi J, Thomas RM, Wang Y, Xu Y, Miret JJ, Shakespeare WC, Zhu X, Dalgarno DC.

J Med Chem. 2016 Jan 28;59(2):671-86. doi: 10.1021/acs.jmedchem.5b01552. Epub 2016 Jan 13.


Consensus Predictive Model for Human K562 Cell Growth Inhibition through Enalos Cloud Platform.

Afantitis A, Leonis G, Gambari R, Melagraki G.

ChemMedChem. 2018 Mar 20;13(6):555-563. doi: 10.1002/cmdc.201700675. Epub 2018 Jan 30.


Dual functional small molecule fluorescent probes for image-guided estrogen receptor-specific targeting coupled potent antiproliferative potency for breast cancer therapy.

Yang L, Hu Z, Luo J, Tang C, Zhang S, Ning W, Dong C, Huang J, Liu X, Zhou HB.

Bioorg Med Chem. 2017 Jul 1;25(13):3531-3539. doi: 10.1016/j.bmc.2017.05.002. Epub 2017 May 4.


Discovery of potent anticancer agent HJC0416, an orally bioavailable small molecule inhibitor of signal transducer and activator of transcription 3 (STAT3).

Chen H, Yang Z, Ding C, Xiong A, Wild C, Wang L, Ye N, Cai G, Flores RM, Ding Y, Shen Q, Zhou J.

Eur J Med Chem. 2014 Jul 23;82:195-203. doi: 10.1016/j.ejmech.2014.05.049. Epub 2014 May 22.


Discovery of a small molecular compound simultaneously targeting RXR and HADC: design, synthesis, molecular docking and bioassay.

Chen GL, Wang LH, Wang J, Chen K, Zhao M, Sun ZZ, Wang S, Zheng HL, Yang JY, Wu CF.

Bioorg Med Chem Lett. 2013 Jul 1;23(13):3891-5. doi: 10.1016/j.bmcl.2013.04.067. Epub 2013 May 7.


Natural products as leads for anticancer drug discovery: discovery of new chemotypes of microtubule stabilizers through reengineering of the epothilone scaffold.

Altmann KH, Cachoux F, Feyen F, Gertsch J, Kuzniewski CN, Wartmann M.

Chimia (Aarau). 2010;64(1-2):8-13.


A simple high-content cell cycle assay reveals frequent discrepancies between cell number and ATP and MTS proliferation assays.

Chan GK, Kleinheinz TL, Peterson D, Moffat JG.

PLoS One. 2013 May 17;8(5):e63583. doi: 10.1371/journal.pone.0063583. Print 2013.


Discovery of highly potent, selective, and efficacious small molecule inhibitors of ERK1/2.

Ren L, Grina J, Moreno D, Blake JF, Gaudino JJ, Garrey R, Metcalf AT, Burkard M, Martinson M, Rasor K, Chen H, Dean B, Gould SE, Pacheco P, Shahidi-Latham S, Yin J, West K, Wang W, Moffat JG, Schwarz JB.

J Med Chem. 2015 Feb 26;58(4):1976-91. doi: 10.1021/jm501921k. Epub 2015 Feb 11.


From fragment screening to potent binders: strategies for fragment-to-lead evolution.

Eitner K, Koch U.

Mini Rev Med Chem. 2009 Jul;9(8):956-61. Review.


Discovery of AZD3514, a small-molecule androgen receptor downregulator for treatment of advanced prostate cancer.

Bradbury RH, Acton DG, Broadbent NL, Brooks AN, Carr GR, Hatter G, Hayter BR, Hill KJ, Howe NJ, Jones RD, Jude D, Lamont SG, Loddick SA, McFarland HL, Parveen Z, Rabow AA, Sharma-Singh G, Stratton NC, Thomason AG, Trueman D, Walker GE, Wells SL, Wilson J, Wood JM.

Bioorg Med Chem Lett. 2013 Apr 1;23(7):1945-8. doi: 10.1016/j.bmcl.2013.02.056. Epub 2013 Feb 21.


Target-specific support vector machine scoring in structure-based virtual screening: computational validation, in vitro testing in kinases, and effects on lung cancer cell proliferation.

Li L, Khanna M, Jo I, Wang F, Ashpole NM, Hudmon A, Meroueh SO.

J Chem Inf Model. 2011 Apr 25;51(4):755-9. doi: 10.1021/ci100490w. Epub 2011 Mar 25.


Targeting cancer using fragment based drug discovery.

Turnbull AP, Boyd SM.

Anticancer Agents Med Chem. 2012 Jan;12(1):40-8.


Fragment-based lead discovery and design.

Joseph-McCarthy D, Campbell AJ, Kern G, Moustakas D.

J Chem Inf Model. 2014 Mar 24;54(3):693-704. doi: 10.1021/ci400731w. Epub 2014 Feb 19. Review.


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