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Results: 1 to 20 of 166

1.

DARC: mapping surface topography by ray-casting for effective virtual screening at protein interaction sites.

Gowthaman R, Miller SA, Rogers SA, Khowsathit J, Lan L, Bai N, Johnson DK, Liu C, Xu L, Anbanandam A, Aubé J, Roy A, Karanicolas J.

J Med Chem. 2015 Jun 30. [Epub ahead of print]

PMID:
26126123
2.

Temperature dependence of turnover in a Sc(OTf)3-catalyzed intramolecular Schmidt reaction.

Fehl C, Hirt EE, Li SW, Aubé J.

Tetrahedron Lett. 2015 Jun 3;56(23):3137-3140.

PMID:
26085693
3.

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):1252-1265. doi: 10.1016/j.cell.2015.05.023. Review.

4.

Contrasted effects of natural complex mixtures of PAHs and metals on oxygen cycle in a microbial mat.

Pringault O, Aube J, Bouchez O, Klopp C, Mariette J, Escudie F, Senin P, Goni-Urriza M.

Chemosphere. 2015 Sep;135:189-201. doi: 10.1016/j.chemosphere.2015.04.037. Epub 2015 May 15.

PMID:
25957138
5.

Natural product (-)-gossypol inhibits colon cancer cell growth by targeting RNA-binding protein Musashi-1.

Lan L, Appelman C, Smith AR, Yu J, Larsen S, Marquez RT, Liu H, Wu X, Gao P, Roy A, Anbanandam A, Gowthaman R, Karanicolas J, De Guzman RN, Rogers S, Aubé J, Ji M, Cohen RS, Neufeld KL, Xu L.

Mol Oncol. 2015 Apr 10. pii: S1574-7891(15)00075-7. doi: 10.1016/j.molonc.2015.03.014. [Epub ahead of print]

PMID:
25933687
6.

Domino Acylation/Diels-Alder Synthesis of N-Alkyl-octahydroisoquinolin-1-one-8-carboxylic Acids under Low-Solvent Conditions.

Slauson SR, Pemberton R, Ghosh P, Tantillo DJ, Aubé J.

J Org Chem. 2015 May 15;80(10):5260-71. doi: 10.1021/acs.joc.5b00804. Epub 2015 May 1.

PMID:
25901898
7.

Structure-Activity Relationship Studies of Functionally Selective Kappa Opioid Receptor Agonists that Modulate ERK 1/2 Phosphorylation While Preserving G Protein Over βArrestin2 Signaling Bias.

Lovell KM, Frankowski KJ, Stahl EL, Slauson SR, Yoo E, Prisinzano TE, Aubé J, Bohn LM.

ACS Chem Neurosci. 2015 May 1. [Epub ahead of print]

PMID:
25891774
8.

Small Molecules Targeting the Mitochondrial Permeability Transition.

Sileikyte J, Roy S, Porubsky P, Neuenswander B, Wang J, Hedrick M, Pinkerton AB, Salaniwal S, Kung P, Mangravita-Novo A, Smith LH, Bourdette DN, Jackson MR, Aubé J, Chung TDY, Schoenen FJ, Forte MA, Bernardi P.

Probe Reports from the NIH Molecular Libraries Program [Internet]. Bethesda (MD): National Center for Biotechnology Information (US); 2010-.
2014 Apr 15 [updated 2015 Jan 16].

9.

An efficient computational model to predict protonation at the amide nitrogen and reactivity along the C-N rotational pathway.

Szostak R, Aubé J, Szostak M.

Chem Commun (Camb). 2015 Apr 14;51(29):6395-8. doi: 10.1039/c5cc01034a.

PMID:
25766378
10.

Identification and Validation of Novel Small Molecule Disruptors of HuR-mRNA Interaction.

Wu X, Lan L, Wilson DM, Marquez RT, Tsao WC, Gao P, Roy A, Turner BA, McDonald P, Tunge JA, Rogers SA, Dixon DA, Aubé J, Xu L.

ACS Chem Biol. 2015 Jun 19;10(6):1476-84. doi: 10.1021/cb500851u. Epub 2015 Mar 17.

PMID:
25750985
11.

Potency enhancement of the κ-opioid receptor antagonist probe ML140 through sulfonamide constraint utilizing a tetrahydroisoquinoline motif.

Frankowski KJ, Slauson SR, Lovell KM, Phillips AM, Streicher JM, Zhou L, Whipple DA, Schoenen FJ, Prisinzano TE, Bohn LM, Aubé J.

Bioorg Med Chem. 2015 Jul 15;23(14):3948-56. doi: 10.1016/j.bmc.2014.12.033. Epub 2014 Dec 23.

PMID:
25593096
12.

Discovery of Sulfonamidebenzamides as Selective Apoptotic CHOP Pathway Activators of the Unfolded Protein Response.

Flaherty DP, Miller JR, Garshott DM, Hedrick M, Gosalia P, Li Y, Milewski M, Sugarman E, Vasile S, Salaniwal S, Su Y, Smith LH, Chung TD, Pinkerton AB, Aubé J, Callaghan MU, Golden JE, Fribley AM, Kaufman RJ.

ACS Med Chem Lett. 2014 Oct 29;5(12):1278-1283. eCollection 2014 Dec 11.

PMID:
25530830
13.

Inhibitors of the Plasmodium falciparum M17 Leucine Aminopeptidase.

Schoenen FJ, Whipple D, Baillargeon P, Brown CL, Chase P, Ferguson J, Fernandez-Vega V, Hodder P, Mathew R, Neuenswander B, Porubsky P, Rogers S, Skinner-Adams T, Sosa M, Spicer T, To J, Tower NA, Trenholme KR, Wang J, Weiner WS, Aubé J, Rosen H, White EL, Gardiner DL, Dalton JP.

Probe Reports from the NIH Molecular Libraries Program [Internet]. Bethesda (MD): National Center for Biotechnology Information (US); 2010-.
2013 Dec 12 [updated 2014 Sep 18].

14.

Optimization of potent and selective quinazolinediones: inhibitors of respiratory syncytial virus that block RNA-dependent RNA-polymerase complex activity.

Matharu DS, Flaherty DP, Simpson DS, Schroeder CE, Chung D, Yan D, Noah JW, Jonsson CB, White EL, Aubé J, Plemper RK, Severson WE, Golden JE.

J Med Chem. 2014 Dec 26;57(24):10314-28. doi: 10.1021/jm500902x. Epub 2014 Dec 4.

PMID:
25399509
15.
16.

Development of (E)-2-((1,4-dimethylpiperazin-2-ylidene)amino)-5-nitro-N-phenylbenzamide, ML336: Novel 2-amidinophenylbenzamides as potent inhibitors of venezuelan equine encephalitis virus.

Schroeder CE, Yao T, Sotsky J, Smith RA, Roy S, Chu YK, Guo H, Tower NA, Noah JW, McKellip S, Sosa M, Rasmussen L, Smith LH, White EL, Aubé J, Jonsson CB, Chung D, Golden JE.

J Med Chem. 2014 Oct 23;57(20):8608-21. doi: 10.1021/jm501203v. Epub 2014 Oct 7.

PMID:
25244572
17.

Potent and selective inhibitors of the TASK-1 potassium channel through chemical optimization of a bis-amide scaffold.

Flaherty DP, Simpson DS, Miller M, Maki BE, Zou B, Shi J, Wu M, McManus OB, Aubé J, Li M, Golden JE.

Bioorg Med Chem Lett. 2014 Aug 15;24(16):3968-73. doi: 10.1016/j.bmcl.2014.06.032. Epub 2014 Jun 19.

PMID:
25017033
18.

A concomitant allylic azide rearrangement/intramolecular azide-alkyne cycloaddition sequence.

Vekariya RH, Liu R, Aubé J.

Org Lett. 2014 Apr 4;16(7):1844-7. doi: 10.1021/ol500011f. Epub 2014 Mar 17.

19.

Discovery of ML370, an inhibitor of Vibrio cholerae Quorum Sensing Acting via the LuxO response regulator.

Faloon P, Weiner WS, Matharu DS, Neuenswander B, Porubsky P, Youngsaye W, Bennion M, Ng WL, Hurley A, Mosher CM, Johnston S, Dandapani S, Schoenen FJ, Aubé J, Munoz B, Palmer M, Bassler BL, Schreiber SL.

Probe Reports from the NIH Molecular Libraries Program [Internet]. Bethesda (MD): National Center for Biotechnology Information (US); 2010-.
2013 Apr 12 [updated 2014 Sep 18].

20.

Chemistry of bridged lactams and related heterocycles.

Szostak M, Aubé J.

Chem Rev. 2013 Aug 14;113(8):5701-65. doi: 10.1021/cr4000144. Epub 2013 Jun 17. Review. No abstract available.

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