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Items: 40


Overcoming adaptive therapy resistance in AML by targeting immune response pathways.

Melgar K, Walker MM, Jones LM, Bolanos LC, Hueneman K, Wunderlich M, Jiang JK, Wilson KM, Zhang X, Sutter P, Wang A, Xu X, Choi K, Tawa G, Lorimer D, Abendroth J, O'Brien E, Hoyt SB, Berman E, Famulare CA, Mulloy JC, Levine RL, Perentesis JP, Thomas CJ, Starczynowski DT.

Sci Transl Med. 2019 Sep 4;11(508). pii: eaaw8828. doi: 10.1126/scitranslmed.aaw8828.


17-Hydroxy Wortmannin Restores TRAIL's Response by Ameliorating Increased Beclin 1 Level and Autophagy Function in TRAIL-Resistant Colon Cancer Cells.

Dai S, Yang S, Hu X, Sun W, Tawa G, Zhu W, Schimmer AD, He C, Fang B, Zhu H, Zheng W.

Mol Cancer Ther. 2019 Jul;18(7):1265-1277. doi: 10.1158/1535-7163.MCT-18-1241. Epub 2019 May 15.


Discovery of 3-(4-sulfamoylnaphthyl)pyrazolo[1,5-a]pyrimidines as potent and selective ALK2 inhibitors.

Jiang JK, Huang X, Shamim K, Patel PR, Lee A, Wang AQ, Nguyen K, Tawa G, Cuny GD, Yu PB, Zheng W, Xu X, Sanderson P, Huang W.

Bioorg Med Chem Lett. 2018 Nov 1;28(20):3356-3362. doi: 10.1016/j.bmcl.2018.09.006. Epub 2018 Sep 6.


Computer-Aided Discovery and Characterization of Novel Ebola Virus Inhibitors.

Capuzzi SJ, Sun W, Muratov EN, Martínez-Romero C, He S, Zhu W, Li H, Tawa G, Fisher EG, Xu M, Shinn P, Qiu X, García-Sastre A, Zheng W, Tropsha A.

J Med Chem. 2018 Apr 26;61(8):3582-3594. doi: 10.1021/acs.jmedchem.8b00035. Epub 2018 Apr 17.


Repurposing a novel parathyroid hormone analogue to treat hypoparathyroidism.

Krishnan V, Ma YL, Chen CZ, Thorne N, Bullock H, Tawa G, Javella-Cauley C, Chu S, Li W, Kohn W, Adrian MD, Benson C, Liu L, Sato M, Zheng W, Pilon AM, Yang NN, Bryant HU.

Br J Pharmacol. 2018 Jan;175(2):262-271. doi: 10.1111/bph.14028. Epub 2017 Nov 28.


Novel lead structures with both Plasmodium falciparum gametocytocidal and asexual blood stage activity identified from high throughput compound screening.

Sun W, Huang X, Li H, Tawa G, Fisher E, Tanaka TQ, Shinn P, Huang W, Williamson KC, Zheng W.

Malar J. 2017 Apr 13;16(1):147. doi: 10.1186/s12936-017-1805-0.


Synergistic drug combination effectively blocks Ebola virus infection.

Sun W, He S, Martínez-Romero C, Kouznetsova J, Tawa G, Xu M, Shinn P, Fisher E, Long Y, Motabar O, Yang S, Sanderson PE, Williamson PR, García-Sastre A, Qiu X, Zheng W.

Antiviral Res. 2017 Jan;137:165-172. doi: 10.1016/j.antiviral.2016.11.017. Epub 2016 Nov 24.


Identification of Multiple Cryptococcal Fungicidal Drug Targets by Combined Gene Dosing and Drug Affinity Responsive Target Stability Screening.

Park YD, Sun W, Salas A, Antia A, Carvajal C, Wang A, Xu X, Meng Z, Zhou M, Tawa GJ, Dehdashti J, Zheng W, Henderson CM, Zelazny AM, Williamson PR.

MBio. 2016 Aug 2;7(4). pii: e01073-16. doi: 10.1128/mBio.01073-16.


Treatment Paradigms for Retinal and Macular Diseases Using 3-D Retina Cultures Derived From Human Reporter Pluripotent Stem Cell Lines.

Kaewkhaw R, Swaroop M, Homma K, Nakamura J, Brooks M, Kaya KD, Chaitankar V, Michael S, Tawa G, Zou J, Rao M, Zheng W, Cogliati T, Swaroop A.

Invest Ophthalmol Vis Sci. 2016 Apr 1;57(5):ORSFl1-ORSFl11. doi: 10.1167/iovs.15-17639.


Gene Expression Patterns Associated With Histopathology in Toxic Liver Fibrosis.

Ippolito DL, AbdulHameed MD, Tawa GJ, Baer CE, Permenter MG, McDyre BC, Dennis WE, Boyle MH, Hobbs CA, Streicker MA, Snowden BS, Lewis JA, Wallqvist A, Stallings JD.

Toxicol Sci. 2016 Jan;149(1):67-88. doi: 10.1093/toxsci/kfv214. Epub 2015 Sep 22.


Identification of 53 compounds that block Ebola virus-like particle entry via a repurposing screen of approved drugs.

Kouznetsova J, Sun W, Martínez-Romero C, Tawa G, Shinn P, Chen CZ, Schimmer A, Sanderson P, McKew JC, Zheng W, García-Sastre A.

Emerg Microbes Infect. 2014 Dec;3(12):e84. doi: 10.1038/emi.2014.88. Epub 2014 Dec 17.


A systems biology strategy to identify molecular mechanisms of action and protein indicators of traumatic brain injury.

Yu C, Boutté A, Yu X, Dutta B, Feala JD, Schmid K, Dave J, Tawa GJ, Wallqvist A, Reifman J.

J Neurosci Res. 2015 Feb;93(2):199-214. doi: 10.1002/jnr.23503. Epub 2014 Nov 14.


Systems level analysis and identification of pathways and networks associated with liver fibrosis.

AbdulHameed MD, Tawa GJ, Kumar K, Ippolito DL, Lewis JA, Stallings JD, Wallqvist A.

PLoS One. 2014 Nov 7;9(11):e112193. doi: 10.1371/journal.pone.0112193. eCollection 2014.


Characterization of chemically induced liver injuries using gene co-expression modules.

Tawa GJ, AbdulHameed MD, Yu X, Kumar K, Ippolito DL, Lewis JA, Stallings JD, Wallqvist A.

PLoS One. 2014 Sep 16;9(9):e107230. doi: 10.1371/journal.pone.0107230. eCollection 2014.


Exploiting large-scale drug-protein interaction information for computational drug repurposing.

Liu R, Singh N, Tawa GJ, Wallqvist A, Reifman J.

BMC Bioinformatics. 2014 Jun 20;15:210. doi: 10.1186/1471-2105-15-210.


Synthesis and evaluation of Strychnos alkaloids as MDR reversal agents for cancer cell eradication.

Munagala S, Sirasani G, Kokkonda P, Phadke M, Krynetskaia N, Lu P, Sharom FJ, Chaudhury S, Abdulhameed MD, Tawa G, Wallqvist A, Martinez R, Childers W, Abou-Gharbia M, Krynetskiy E, Andrade RB.

Bioorg Med Chem. 2014 Feb 1;22(3):1148-55. doi: 10.1016/j.bmc.2013.12.022. Epub 2013 Dec 21.


Identifying cytochrome p450 functional networks and their allosteric regulatory elements.

Liu J, Tawa GJ, Wallqvist A.

PLoS One. 2013 Dec 3;8(12):e81980. doi: 10.1371/journal.pone.0081980. eCollection 2013.


Rapid countermeasure discovery against Francisella tularensis based on a metabolic network reconstruction.

Chaudhury S, Abdulhameed MD, Singh N, Tawa GJ, D'haeseleer PM, Zemla AT, Navid A, Zhou CE, Franklin MC, Cheung J, Rudolph MJ, Love J, Graf JF, Rozak DA, Dankmeyer JL, Amemiya K, Daefler S, Wallqvist A.

PLoS One. 2013 May 21;8(5):e63369. doi: 10.1371/journal.pone.0063369. Print 2013.


Computational tools and resources for metabolism-related property predictions. 1. Overview of publicly available (free and commercial) databases and software.

Peach ML, Zakharov AV, Liu R, Pugliese A, Tawa G, Wallqvist A, Nicklaus MC.

Future Med Chem. 2012 Oct;4(15):1907-32. doi: 10.4155/fmc.12.150.


QSAR classification model for antibacterial compounds and its use in virtual screening.

Singh N, Chaudhury S, Liu R, AbdulHameed MD, Tawa G, Wallqvist A.

J Chem Inf Model. 2012 Oct 22;52(10):2559-69. doi: 10.1021/ci300336v. Epub 2012 Oct 8.


Locally weighted learning methods for predicting dose-dependent toxicity with application to the human maximum recommended daily dose.

Liu R, Tawa G, Wallqvist A.

Chem Res Toxicol. 2012 Oct 15;25(10):2216-26. doi: 10.1021/tx300279f. Epub 2012 Sep 26.


2D SMARTCyp reactivity-based site of metabolism prediction for major drug-metabolizing cytochrome P450 enzymes.

Liu R, Liu J, Tawa G, Wallqvist A.

J Chem Inf Model. 2012 Jun 25;52(6):1698-712. doi: 10.1021/ci3001524. Epub 2012 Jun 4.


Fungal bis-Naphthopyrones as Inhibitors of Botulinum Neurotoxin Serotype A.

Cardellina JH 2nd, Roxas-Duncan VI, Montgomery V, Eccard V, Campbell Y, Hu X, Khavrutskii I, Tawa GJ, Wallqvist A, Gloer JB, Phatak NL, Höller U, Soman AG, Joshi BK, Hein SM, Wicklow DT, Smith LA.

ACS Med Chem Lett. 2012 Apr 2;3(5):387-91. doi: 10.1021/ml200312s. eCollection 2012 May 10.


Efficient Conformational Sampling in Explicit Solvent Using a Hybrid Replica Exchange Molecular Dynamics Method.

Chaudhury S, Olson MA, Tawa G, Wallqvist A, Lee MS.

J Chem Theory Comput. 2012 Feb 14;8(2):677-87. doi: 10.1021/ct200529b. Epub 2012 Feb 3.


A physicochemical descriptor-based scoring scheme for effective and rapid filtering of kinase-like chemical space.

Singh N, Sun H, Chaudhury S, Abdulhameed MD, Wallqvist A, Tawa G.

J Cheminform. 2012 Feb 8;4(1):4. doi: 10.1186/1758-2946-4-4.


Exploring polypharmacology using a ROCS-based target fishing approach.

AbdulHameed MD, Chaudhury S, Singh N, Sun H, Wallqvist A, Tawa GJ.

J Chem Inf Model. 2012 Feb 27;52(2):492-505. doi: 10.1021/ci2003544. Epub 2012 Jan 23.


Classification of scaffold-hopping approaches.

Sun H, Tawa G, Wallqvist A.

Drug Discov Today. 2012 Apr;17(7-8):310-24. doi: 10.1016/j.drudis.2011.10.024. Epub 2011 Oct 26. Review.


Ion channel screening plates: design, construction, and maintenance.

Mayer SC, Butera JA, Diller DJ, Dunlop J, Ellingboe J, Fan KY, Kaftan E, Mekonnen B, Mobilio D, Paslay J, Tawa G, Vasilyev D, Bowlby MR.

Assay Drug Dev Technol. 2010 Aug;8(4):504-11. doi: 10.1089/adt.2009.0239.


Benzimidazole- and indole-substituted 1,3'-bipyrrolidine benzamides as histamine H3 receptor antagonists.

Cole DC, Gross JL, Comery TA, Aschmies S, Hirst WD, Kelley C, Kim JI, Kubek K, Ning X, Platt BJ, Robichaud AJ, Solvibile WR, Stock JR, Tawa G, Williams MJ, Ellingboe JW.

Bioorg Med Chem Lett. 2010 Feb 1;20(3):1237-40. doi: 10.1016/j.bmcl.2009.11.122. Epub 2009 Dec 4.


Identification of a new class of small molecule C5a receptor antagonists.

Chen JJ, Cole DC, Ciszewski G, Crouse K, Ellingboe JW, Nowak P, Tawa GJ, Berstein G, Li W.

Bioorg Med Chem Lett. 2010 Jan 15;20(2):662-4. doi: 10.1016/j.bmcl.2009.11.058. Epub 2009 Dec 7.


3,4-Dihydropyrimido(1,2-a)indol-10(2H)-ones as potent non-peptidic inhibitors of caspase-3.

Havran LM, Chong DC, Childers WE, Dollings PJ, Dietrich A, Harrison BL, Marathias V, Tawa G, Aulabaugh A, Cowling R, Kapoor B, Xu W, Mosyak L, Moy F, Hum WT, Wood A, Robichaud AJ.

Bioorg Med Chem. 2009 Nov 15;17(22):7755-68. doi: 10.1016/j.bmc.2009.09.036. Epub 2009 Sep 24.


Computation of 3D queries for ROCS based virtual screens.

Tawa GJ, Baber JC, Humblet C.

J Comput Aided Mol Des. 2009 Dec;23(12):853-68. doi: 10.1007/s10822-009-9302-3. Epub 2009 Sep 26.


Ion channel screening.

Dunlop J, Bowlby M, Peri R, Tawa G, LaRocque J, Soloveva V, Morin J.

Comb Chem High Throughput Screen. 2008 Aug;11(7):514-22. Review.


Enantiomeric separation and determination of absolute stereochemistry of asymmetric molecules in drug discovery: building chiral technology toolboxes.

McConnell O, Bach A 2nd, Balibar C, Byrne N, Cai Y, Carter G, Chlenov M, Di L, Fan K, Goljer I, He Y, Herold D, Kagan M, Kerns E, Koehn F, Kraml C, Marathias V, Marquez B, McDonald L, Nogle L, Petucci C, Schlingmann G, Tawa G, Tischler M, Williamson RT, Sutherland A, Watts W, Young M, Zhang MY, Zhang Y, Zhou D, Ho D.

Chirality. 2007 Sep;19(9):658-82. Review.


Stereochemical identification of (R)- and (S)-ibuprofen using residual dipolar couplings, NMR, and modeling.

Marathias VM, Tawa GJ, Goljer I, Bach AC 2nd.

Chirality. 2007 Sep;19(9):741-50.


Conformationally constrained N1-arylsulfonyltryptamine derivatives as 5-HT6 receptor antagonists.

Cole DC, Lennox WJ, Stock JR, Ellingboe JW, Mazandarani H, Smith DL, Zhang G, Tawa GJ, Schechter LE.

Bioorg Med Chem Lett. 2005 Nov 1;15(21):4780-5.


Discovery of 5-arylsulfonamido-3-(pyrrolidin-2-ylmethyl)-1H-indole derivatives as potent, selective 5-HT6 receptor agonists and antagonists.

Cole DC, Lennox WJ, Lombardi S, Ellingboe JW, Bernotas RC, Tawa GJ, Mazandarani H, Smith DL, Zhang G, Coupet J, Schechter LE.

J Med Chem. 2005 Jan 27;48(2):353-6.


Mutation of cysteine 214 in Gi1 alpha subunit abolishes its endogenous GTPase activity.

Wang Y, Tawa G, Smith D, Krishnamurthy G, Young KH.

Biochem J. 2004 May 1;379(Pt 3):673-9.


Mixed direct-iterative methods for boundary integral formulations of dielectric solvation models.

Corcelli SA, Kress JD, Pratt LR, Tawa GJ.

Pac Symp Biocomput. 1996:142-59.

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