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Items: 1 to 20 of 199

1.

DrugCentral 2018: an update.

Ursu O, Holmes J, Bologa CG, Yang JJ, Mathias SL, Stathias V, Nguyen DT, Schürer S, Oprea T.

Nucleic Acids Res. 2018 Oct 29. doi: 10.1093/nar/gky963. [Epub ahead of print]

PMID:
30371892
2.

Promising nanotherapy in treating leishmaniasis.

de Souza A, Marins DSS, Mathias SL, Monteiro LM, Yukuyama MN, Scarim CB, Löbenberg R, Bou-Chacra NA.

Int J Pharm. 2018 Aug 25;547(1-2):421-431. doi: 10.1016/j.ijpharm.2018.06.018. Epub 2018 Jun 8. Review.

PMID:
29886097
3.

Activation of Rho Family GTPases by Small Molecules.

Palsuledesai CC, Surviladze Z, Waller A, Miscioscia TF, Guo Y, Wu Y, Strouse J, Romero E, Salas VM, Curpan R, Young S, Carter M, Foutz T, Galochkina Z, Ames H, Haynes MK, Edwards BS, Nicolotti O, Luo L, Ursu O, Bologa CG, Oprea TI, Wandinger-Ness A, Sklar LA.

ACS Chem Biol. 2018 Jun 15;13(6):1514-1524. doi: 10.1021/acschembio.8b00038. Epub 2018 May 24.

4.

In silico toxicology protocols.

Myatt GJ, Ahlberg E, Akahori Y, Allen D, Amberg A, Anger LT, Aptula A, Auerbach S, Beilke L, Bellion P, Benigni R, Bercu J, Booth ED, Bower D, Brigo A, Burden N, Cammerer Z, Cronin MTD, Cross KP, Custer L, Dettwiler M, Dobo K, Ford KA, Fortin MC, Gad-McDonald SE, Gellatly N, Gervais V, Glover KP, Glowienke S, Van Gompel J, Gutsell S, Hardy B, Harvey JS, Hillegass J, Honma M, Hsieh JH, Hsu CW, Hughes K, Johnson C, Jolly R, Jones D, Kemper R, Kenyon MO, Kim MT, Kruhlak NL, Kulkarni SA, Kümmerer K, Leavitt P, Majer B, Masten S, Miller S, Moser J, Mumtaz M, Muster W, Neilson L, Oprea TI, Patlewicz G, Paulino A, Lo Piparo E, Powley M, Quigley DP, Reddy MV, Richarz AN, Ruiz P, Schilter B, Serafimova R, Simpson W, Stavitskaya L, Stidl R, Suarez-Rodriguez D, Szabo DT, Teasdale A, Trejo-Martin A, Valentin JP, Vuorinen A, Wall BA, Watts P, White AT, Wichard J, Witt KL, Woolley A, Woolley D, Zwickl C, Hasselgren C.

Regul Toxicol Pharmacol. 2018 Jul;96:1-17. doi: 10.1016/j.yrtph.2018.04.014. Epub 2018 Apr 17.

5.

Proteomic analysis defines kinase taxonomies specific for subtypes of breast cancer.

Collins KAL, Stuhlmiller TJ, Zawistowski JS, East MP, Pham TT, Hall CR, Goulet DR, Bevill SM, Angus SP, Velarde SH, Sciaky N, Oprea TI, Graves LM, Johnson GL, Gomez SM.

Oncotarget. 2018 Jan 29;9(21):15480-15497. doi: 10.18632/oncotarget.24337. eCollection 2018 Mar 20.

6.

Unexplored therapeutic opportunities in the human genome.

Oprea TI, Bologa CG, Brunak S, Campbell A, Gan GN, Gaulton A, Gomez SM, Guha R, Hersey A, Holmes J, Jadhav A, Jensen LJ, Johnson GL, Karlson A, Leach AR, Ma'ayan A, Malovannaya A, Mani S, Mathias SL, McManus MT, Meehan TF, von Mering C, Muthas D, Nguyen DT, Overington JP, Papadatos G, Qin J, Reich C, Roth BL, Schürer SC, Simeonov A, Sklar LA, Southall N, Tomita S, Tudose I, Ursu O, Vidovic D, Waller A, Westergaard D, Yang JJ, Zahoránszky-Köhalmi G.

Nat Rev Drug Discov. 2018 May;17(5):377. doi: 10.1038/nrd.2018.52. Epub 2018 Mar 23.

PMID:
29567993
7.

Unexplored therapeutic opportunities in the human genome.

Oprea TI, Bologa CG, Brunak S, Campbell A, Gan GN, Gaulton A, Gomez SM, Guha R, Hersey A, Holmes J, Jadhav A, Jensen LJ, Johnson GL, Karlson A, Leach AR, Ma'ayan A, Malovannaya A, Mani S, Mathias SL, McManus MT, Meehan TF, von Mering C, Muthas D, Nguyen DT, Overington JP, Papadatos G, Qin J, Reich C, Roth BL, Schürer SC, Simeonov A, Sklar LA, Southall N, Tomita S, Tudose I, Ursu O, Vidovic D, Waller A, Westergaard D, Yang JJ, Zahoránszky-Köhalmi G.

Nat Rev Drug Discov. 2018 May;17(5):317-332. doi: 10.1038/nrd.2018.14. Epub 2018 Mar 23. Review. Erratum in: Nat Rev Drug Discov. 2018 Mar 23;:.

PMID:
29472638
8.

Leaving us with fond memories, smiles, SMILES and, alas, tears: a tribute to David Weininger, 1952-2016.

Gasteiger J, Martin Y, Nicholls A, Oprea TI, Stouch T.

J Comput Aided Mol Des. 2018 Feb;32(2):313-319. doi: 10.1007/s10822-018-0104-3. Epub 2018 Feb 3.

PMID:
29397518
9.

High-Throughput Screening Approach for Identifying Compounds That Inhibit Nonhomologous End Joining.

Bredemeyer AL, Edwards BS, Haynes MK, Morales AJ, Wang Y, Ursu O, Waller A, Sklar LA, Sleckman BP.

SLAS Discov. 2018 Aug;23(7):624-633. doi: 10.1177/2472555217746324. Epub 2017 Dec 12.

10.

High-Throughput Flow Cytometry Screening of Multidrug Efflux Systems.

Haynes MK, Garcia M, Peters R, Waller A, Tedesco P, Ursu O, Bologa CG, Santos RG, Pinilla C, Wu TH, Lovchik JA, Oprea TI, Sklar LA, Tegos GP.

Methods Mol Biol. 2018;1700:293-318. doi: 10.1007/978-1-4939-7454-2_16.

PMID:
29177837
11.

Drug target ontology to classify and integrate drug discovery data.

Lin Y, Mehta S, Küçük-McGinty H, Turner JP, Vidovic D, Forlin M, Koleti A, Nguyen DT, Jensen LJ, Guha R, Mathias SL, Ursu O, Stathias V, Duan J, Nabizadeh N, Chung C, Mader C, Visser U, Yang JJ, Bologa CG, Oprea TI, Schürer SC.

J Biomed Semantics. 2017 Nov 9;8(1):50. doi: 10.1186/s13326-017-0161-x.

12.

Obituary: Toshio Fujita, QSAR pioneer.

Akamatsu M, Oprea TI.

J Comput Aided Mol Des. 2017 Nov;31(11):959-960. doi: 10.1007/s10822-017-0078-6. Epub 2017 Nov 8.

PMID:
29119351
13.

Formalizing drug indications on the road to therapeutic intent.

Nelson SJ, Oprea TI, Ursu O, Bologa CG, Zaveri A, Holmes J, Yang JJ, Mathias SL, Mani S, Tuttle MS, Dumontier M.

J Am Med Inform Assoc. 2017 Nov 1;24(6):1169-1172. doi: 10.1093/jamia/ocx064.

PMID:
29016968
14.

TIN-X: target importance and novelty explorer.

Cannon DC, Yang JJ, Mathias SL, Ursu O, Mani S, Waller A, Schürer SC, Jensen LJ, Sklar LA, Bologa CG, Oprea TI.

Bioinformatics. 2017 Aug 15;33(16):2601-2603. doi: 10.1093/bioinformatics/btx200.

15.

Protein biomarker druggability profiling.

Mani S, Cannon D, Ohls R, Oprea T, Mathias S, Ballard K, Ursu O, Bologa C.

J Biomed Inform. 2017 Feb;66:241-247. doi: 10.1016/j.jbi.2017.01.014. Epub 2017 Jan 25.

16.

A comprehensive map of molecular drug targets.

Santos R, Ursu O, Gaulton A, Bento AP, Donadi RS, Bologa CG, Karlsson A, Al-Lazikani B, Hersey A, Oprea TI, Overington JP.

Nat Rev Drug Discov. 2017 Jan;16(1):19-34. doi: 10.1038/nrd.2016.230. Epub 2016 Dec 2. Review.

PMID:
27910877
17.

Pharos: Collating protein information to shed light on the druggable genome.

Nguyen DT, Mathias S, Bologa C, Brunak S, Fernandez N, Gaulton A, Hersey A, Holmes J, Jensen LJ, Karlsson A, Liu G, Ma'ayan A, Mandava G, Mani S, Mehta S, Overington J, Patel J, Rouillard AD, Schürer S, Sheils T, Simeonov A, Sklar LA, Southall N, Ursu O, Vidovic D, Waller A, Yang J, Jadhav A, Oprea TI, Guha R.

Nucleic Acids Res. 2017 Jan 4;45(D1):D995-D1002. doi: 10.1093/nar/gkw1072. Epub 2016 Nov 29.

18.

Chronic obstructive pulmonary disease phenotypes using cluster analysis of electronic medical records.

Vazquez Guillamet R, Ursu O, Iwamoto G, Moseley PL, Oprea T.

Health Informatics J. 2018 Dec;24(4):394-409. doi: 10.1177/1460458216675661. Epub 2016 Nov 17.

PMID:
27856785
19.

DrugCentral: online drug compendium.

Ursu O, Holmes J, Knockel J, Bologa CG, Yang JJ, Mathias SL, Nelson SJ, Oprea TI.

Nucleic Acids Res. 2017 Jan 4;45(D1):D932-D939. doi: 10.1093/nar/gkw993. Epub 2016 Oct 26.

20.

Estimation of Maximum Recommended Therapeutic Dose Using Predicted Promiscuity and Potency.

Liu T, Oprea T, Ursu O, Hasselgren C, Altman RB.

Clin Transl Sci. 2016 Dec;9(6):311-320. doi: 10.1111/cts.12422. Epub 2016 Oct 13.

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