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Items: 1 to 50 of 181

1.

Diabetes mellitus risk for 102 drugs and drug combinations used in patients with bipolar disorder.

Nestsiarovich A, Kerner B, Mazurie AJ, Cannon DC, Hurwitz NG, Zhu Y, Nelson SJ, Oprea TI, Crisanti AS, Tohen M, Perkins DJ, Lambert CG.

Psychoneuroendocrinology. 2019 Nov 9:104511. doi: 10.1016/j.psyneuen.2019.104511. [Epub ahead of print]

2.

A Selective Ligand for Estrogen Receptor Proteins Discriminates Rapid and Genomic Signaling.

Revankar CM, Bologa CG, Pepermans RA, Sharma G, Petrie WK, Alcon SN, Field AS, Ramesh C, Parker MA, Savchuk NP, Sklar LA, Hathaway HJ, Arterburn JB, Oprea TI, Prossnitz ER.

Cell Chem Biol. 2019 Nov 6. pii: S2451-9456(19)30354-X. doi: 10.1016/j.chembiol.2019.10.009. [Epub ahead of print]

PMID:
31706983
3.

Can BDDCS illuminate targets in drug design?

Bocci G, Benet LZ, Oprea TI.

Drug Discov Today. 2019 Dec;24(12):2299-2306. doi: 10.1016/j.drudis.2019.09.021. Epub 2019 Oct 1. Review.

PMID:
31585170
4.

Exploring the dark genome: implications for precision medicine.

Oprea TI.

Mamm Genome. 2019 Aug;30(7-8):192-200. doi: 10.1007/s00335-019-09809-0. Epub 2019 Jul 4. Review.

PMID:
31270560
5.

The human endogenous metabolome as a pharmacology baseline for drug discovery.

Bofill A, Jalencas X, Oprea TI, Mestres J.

Drug Discov Today. 2019 Sep;24(9):1806-1820. doi: 10.1016/j.drudis.2019.06.007. Epub 2019 Jun 19. Review.

PMID:
31226432
6.

Novel drug targets in 2018.

Ursu O, Glick M, Oprea T.

Nat Rev Drug Discov. 2019 Mar 26. doi: 10.1038/d41573-019-00052-5. [Epub ahead of print] No abstract available.

PMID:
31048796
7.

Comparison of 71 bipolar disorder pharmacotherapies for kidney disorder risk: The potential hazards of polypharmacy.

Nestsiarovich A, Kerner B, Mazurie AJ, Cannon DC, Hurwitz NG, Zhu Y, Nelson SJ, Oprea TI, Unruh ML, Crisanti AS, Tohen M, Perkins DJ, Lambert CG.

J Affect Disord. 2019 Jun 1;252:201-211. doi: 10.1016/j.jad.2019.04.009. Epub 2019 Apr 8.

8.

How to Prepare a Compound Collection Prior to Virtual Screening.

Bologa CG, Ursu O, Oprea TI.

Methods Mol Biol. 2019;1939:119-138. doi: 10.1007/978-1-4939-9089-4_7.

PMID:
30848459
9.

Far away from the lamppost.

Oprea TI, Jan L, Johnson GL, Roth BL, Ma'ayan A, Schürer S, Shoichet BK, Sklar LA, McManus MT.

PLoS Biol. 2018 Dec 11;16(12):e3000067. doi: 10.1371/journal.pbio.3000067. eCollection 2018 Dec.

10.

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. 2019 Jan 8;47(D1):D963-D970. doi: 10.1093/nar/gky963.

11.

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.

12.

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.

13.

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.

14.

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
15.

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;:.

16.

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
17.

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
18.

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.

19.

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
20.

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.

21.

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.

22.

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.

23.

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.

24.

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.

25.

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
26.

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.

27.

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.

28.

Badapple: promiscuity patterns from noisy evidence.

Yang JJ, Ursu O, Lipinski CA, Sklar LA, Oprea TI, Bologa CG.

J Cheminform. 2016 May 28;8:29. doi: 10.1186/s13321-016-0137-3. eCollection 2016.

29.

Erratum to: Impact of similarity threshold on the topology of molecular similarity networks and clustering outcomes.

Zahoránszky-Kőhalmi G, Bologa CG, Ursu O, Oprea TI.

J Cheminform. 2016 May 20;8:28. doi: 10.1186/s13321-016-0140-8. eCollection 2016.

30.

BDDCS, the Rule of 5 and drugability.

Benet LZ, Hosey CM, Ursu O, Oprea TI.

Adv Drug Deliv Rev. 2016 Jun 1;101:89-98. doi: 10.1016/j.addr.2016.05.007. Epub 2016 May 13. Review.

31.

Discovery of a specific inhibitor of human GLUT5 by virtual screening and in vitro transport evaluation.

George Thompson AM, Ursu O, Babkin P, Iancu CV, Whang A, Oprea TI, Choe JY.

Sci Rep. 2016 Apr 14;6:24240. doi: 10.1038/srep24240.

32.

Impact of similarity threshold on the topology of molecular similarity networks and clustering outcomes.

Zahoránszky-Kőhalmi G, Bologa CG, Oprea TI.

J Cheminform. 2016 Mar 30;8:16. doi: 10.1186/s13321-016-0127-5. eCollection 2016. Erratum in: J Cheminform. 2016;8:28.

33.

A pepducin designed to modulate P2Y2R function interacts with FPR2 in human neutrophils and transfers ATP to an NADPH-oxidase-activating ligand through a receptor cross-talk mechanism.

Gabl M, Holdfeldt A, Winther M, Oprea T, Bylund J, Dahlgren C, Forsman H.

Biochim Biophys Acta. 2016 Jun;1863(6 Pt A):1228-37. doi: 10.1016/j.bbamcr.2016.03.014. Epub 2016 Mar 18.

34.

ChemProt-3.0: a global chemical biology diseases mapping.

Kringelum J, Kjaerulff SK, Brunak S, Lund O, Oprea TI, Taboureau O.

Database (Oxford). 2016 Feb 13;2016. pii: bav123. doi: 10.1093/database/bav123. Print 2016.

35.

Novel Activities of Select NSAID R-Enantiomers against Rac1 and Cdc42 GTPases.

Oprea TI, Sklar LA, Agola JO, Guo Y, Silberberg M, Roxby J, Vestling A, Romero E, Surviladze Z, Murray-Krezan C, Waller A, Ursu O, Hudson LG, Wandinger-Ness A.

PLoS One. 2015 Nov 11;10(11):e0142182. doi: 10.1371/journal.pone.0142182. eCollection 2015.

36.

CHEMICAL AND BIOLOGICAL DESCRIPTOR INTEGRATION IMPROVES COMPUTATIONAL MODELING OF IN VIVO RAT TOXICITY.

Bologa CG, Ursu O, Halip L, Curpăn R, Oprea TI.

Rev Roum Chim. 2015 Feb-Mar;60(2-3):219-226.

37.

Computational and Practical Aspects of Drug Repositioning.

Oprea TI, Overington JP.

Assay Drug Dev Technol. 2015 Jul-Aug;13(6):299-306. doi: 10.1089/adt.2015.29011.tiodrrr. Review.

38.

P2Y2 receptor signaling in neutrophils is regulated from inside by a novel cytoskeleton-dependent mechanism.

Gabl M, Winther M, Welin A, Karlsson A, Oprea T, Bylund J, Dahlgren C, Forsman H.

Exp Cell Res. 2015 Aug 15;336(2):242-52. doi: 10.1016/j.yexcr.2015.07.014. Epub 2015 Jul 17.

PMID:
26192818
39.

A Novel Pharmacologic Activity of Ketorolac for Therapeutic Benefit in Ovarian Cancer Patients.

Guo Y, Kenney SR, Cook L, Adams SF, Rutledge T, Romero E, Oprea TI, Sklar LA, Bedrick E, Wiggins CL, Kang H, Lomo L, Muller CY, Wandinger-Ness A, Hudson LG.

Clin Cancer Res. 2015 Nov 15;21(22):5064-72. doi: 10.1158/1078-0432.CCR-15-0461. Epub 2015 Jun 12.

40.

Advancing Biological Understanding and Therapeutics Discovery with Small-Molecule Probes.

Schreiber SL, Kotz JD, Li M, Aubé J, Austin CP, Reed JC, Rosen H, White EL, Sklar LA, Lindsley CW, Alexander BR, Bittker JA, Clemons PA, de Souza A, Foley MA, Palmer M, Shamji AF, Wawer MJ, McManus O, Wu M, Zou B, Yu H, Golden JE, Schoenen FJ, Simeonov A, Jadhav A, Jackson MR, Pinkerton AB, Chung TD, Griffin PR, Cravatt BF, Hodder PS, Roush WR, Roberts E, Chung DH, Jonsson CB, Noah JW, Severson WE, Ananthan S, Edwards B, Oprea TI, Conn PJ, Hopkins CR, Wood MR, Stauffer SR, Emmitte KA; NIH Molecular Libraries Project Team.

Cell. 2015 Jun 4;161(6):1252-65. doi: 10.1016/j.cell.2015.05.023. Review.

41.

Defining the microbial effluxome in the content of the host-microbiome interaction.

Ioannidis A, Magana M, Bologa CG, Oprea TI, Paulsen IT, Tegos GP.

Front Pharmacol. 2015 Feb 19;6:31. doi: 10.3389/fphar.2015.00031. eCollection 2015. No abstract available.

42.

Ligand-directed targeting of lymphatic vessels uncovers mechanistic insights in melanoma metastasis.

Christianson DR, Dobroff AS, Proneth B, Zurita AJ, Salameh A, Dondossola E, Makino J, Bologa CG, Smith TL, Yao VJ, Calderone TL, O'Connell DJ, Oprea TI, Kataoka K, Cahill DJ, Gershenwald JE, Sidman RL, Arap W, Pasqualini R.

Proc Natl Acad Sci U S A. 2015 Feb 24;112(8):2521-6. doi: 10.1073/pnas.1424994112. Epub 2015 Feb 6.

43.

Ligand-directed profiling of organelles with internalizing phage libraries.

Dobroff AS, Rangel R, Guzman-Roja L, Salmeron CC, Gelovani JG, Sidman RL, Bologa CG, Oprea TI, Brinker CJ, Pasqualini R, Arap W.

Curr Protoc Protein Sci. 2015 Feb 2;79:30.4.1-30.4.30. doi: 10.1002/0471140864.ps3004s79.

44.

FRET detection of lymphocyte function-associated antigen-1 conformational extension.

Chigaev A, Smagley Y, Haynes MK, Ursu O, Bologa CG, Halip L, Oprea T, Waller A, Carter MB, Zhang Y, Wang W, Buranda T, Sklar LA.

Mol Biol Cell. 2015 Jan 1;26(1):43-54. doi: 10.1091/mbc.E14-06-1050. Epub 2014 Nov 5.

45.

An automated high-throughput cell-based multiplexed flow cytometry assay to identify novel compounds to target Candida albicans virulence-related proteins.

Bernardo SM, Allen CP, Waller A, Young SM, Oprea T, Sklar LA, Lee SA.

PLoS One. 2014 Oct 28;9(10):e110354. doi: 10.1371/journal.pone.0110354. eCollection 2014.

46.

CFP-10 from Mycobacterium tuberculosis selectively activates human neutrophils through a pertussis toxin-sensitive chemotactic receptor.

Welin A, Björnsdottir H, Winther M, Christenson K, Oprea T, Karlsson A, Forsman H, Dahlgren C, Bylund J.

Infect Immun. 2015 Jan;83(1):205-13. doi: 10.1128/IAI.02493-14. Epub 2014 Oct 20.

47.

Temporal disease trajectories condensed from population-wide registry data covering 6.2 million patients.

Jensen AB, Moseley PL, Oprea TI, Ellesøe SG, Eriksson R, Schmock H, Jensen PB, Jensen LJ, Brunak S.

Nat Commun. 2014 Jun 24;5:4022. doi: 10.1038/ncomms5022.

48.

Antibacterial activity of pepducins, allosterical modulators of formyl peptide receptor signaling.

Winther M, Gabl M, Oprea TI, Jönsson B, Boulay F, Bylund J, Dahlgren C, Forsman H.

Antimicrob Agents Chemother. 2014 May;58(5):2985-8. doi: 10.1128/AAC.02716-13. Epub 2014 Mar 3.

49.

A novel receptor cross-talk between the ATP receptor P2Y2 and formyl peptide receptors reactivates desensitized neutrophils to produce superoxide.

Önnheim K, Christenson K, Gabl M, Burbiel JC, Müller CE, Oprea TI, Bylund J, Dahlgren C, Forsman H.

Exp Cell Res. 2014 Apr 15;323(1):209-17. doi: 10.1016/j.yexcr.2014.01.023. Epub 2014 Feb 1.

PMID:
24491917
50.

An Overview of the Challenges in Designing, Integrating, and Delivering BARD: A Public Chemical-Biology Resource and Query Portal for Multiple Organizations, Locations, and Disciplines.

de Souza A, Bittker JA, Lahr DL, Brudz S, Chatwin S, Oprea TI, Waller A, Yang JJ, Southall N, Guha R, Schürer SC, Vempati UD, Southern MR, Dawson ES, Clemons PA, Chung TD.

J Biomol Screen. 2014 Jun;19(5):614-27. doi: 10.1177/1087057113517139. Epub 2014 Jan 17. Review.

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