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Items: 41

1.

Direct monitoring of the conformational equilibria of the activation loop in the mitogen-activated protein kinase p38α.

Roser P, Weisner J, Simard JR, Rauh D, Drescher M.

Chem Commun (Camb). 2018 Oct 23;54(85):12057-12060. doi: 10.1039/c8cc06128a.

PMID:
30295691
2.

Applications of parallel synthetic lead hopping and pharmacophore-based virtual screening in the discovery of efficient glycine receptor potentiators.

Chakka N, Andrews KL, Berry LM, Bregman H, Gunaydin H, Huang L, Guzman-Perez A, Plant MH, Simard JR, Gingras J, DiMauro EF.

Eur J Med Chem. 2017 Sep 8;137:63-75. doi: 10.1016/j.ejmech.2017.05.036. Epub 2017 May 12.

PMID:
28575722
3.

The Discovery and Hit-to-Lead Optimization of Tricyclic Sulfonamides as Potent and Efficacious Potentiators of Glycine Receptors.

Bregman H, Simard JR, Andrews KL, Ayube S, Chen H, Gunaydin H, Guzman-Perez A, Hu J, Huang L, Huang X, Krolikowski PH, Lehto SG, Lewis RT, Michelsen K, Pegman P, Plant MH, Shaffer PL, Teffera Y, Yi S, Zhang M, Gingras J, DiMauro EF.

J Med Chem. 2017 Feb 9;60(3):1105-1125. doi: 10.1021/acs.jmedchem.6b01496. Epub 2016 Dec 21.

PMID:
28001399
4.

Crystal structures of human glycine receptor α3 bound to a novel class of analgesic potentiators.

Huang X, Shaffer PL, Ayube S, Bregman H, Chen H, Lehto SG, Luther JA, Matson DJ, McDonough SI, Michelsen K, Plant MH, Schneider S, Simard JR, Teffera Y, Yi S, Zhang M, DiMauro EF, Gingras J.

Nat Struct Mol Biol. 2017 Feb;24(2):108-113. doi: 10.1038/nsmb.3329. Epub 2016 Dec 19.

PMID:
27991902
5.

Monitoring Conformational Changes in the Receptor Tyrosine Kinase EGFR.

Becker C, Öcal S, Nguyen HD, Phan T, Keul M, Simard JR, Rauh D.

Chembiochem. 2016 Jun 2;17(11):990-4. doi: 10.1002/cbic.201600115. Epub 2016 Apr 21.

PMID:
26991964
6.

FLiK: a direct-binding assay for the identification and kinetic characterization of stabilizers of inactive kinase conformations.

Simard JR, Rauh D.

Methods Enzymol. 2014;548:147-71. doi: 10.1016/B978-0-12-397918-6.00006-9. Review.

PMID:
25399645
7.

Discovery of inter-domain stabilizers-a novel assay system for allosteric akt inhibitors.

Fang Z, Simard JR, Plenker D, Nguyen HD, Phan T, Wolle P, Baumeister S, Rauh D.

ACS Chem Biol. 2015 Jan 16;10(1):279-88. doi: 10.1021/cb500355c. Epub 2014 Jul 3.

PMID:
24959717
8.

Identification of type II and III DDR2 inhibitors.

Richters A, Nguyen HD, Phan T, Simard JR, Grütter C, Engel J, Rauh D.

J Med Chem. 2014 May 22;57(10):4252-62. doi: 10.1021/jm500167q. Epub 2014 May 5.

PMID:
24754677
9.

Overcoming compound fluorescence in the FLiK screening assay with red-shifted fluorophores.

Schneider R, Gohla A, Simard JR, Yadav DB, Fang Z, van Otterlo WA, Rauh D.

J Am Chem Soc. 2013 Jun 5;135(22):8400-8. doi: 10.1021/ja403074j. Epub 2013 May 24.

PMID:
23672540
10.

Selective detection of allosteric phosphatase inhibitors.

Schneider R, Beumer C, Simard JR, Grütter C, Rauh D.

J Am Chem Soc. 2013 May 8;135(18):6838-41. doi: 10.1021/ja4030484. Epub 2013 Apr 26.

PMID:
23611635
11.

Development and implementation of a high-throughput AlphaLISA assay for identifying inhibitors of EZH2 methyltransferase.

Simard JR, Plant M, Emkey R, Yu V.

Assay Drug Dev Technol. 2013 Apr;11(3):152-62. doi: 10.1089/adt.2012.481. Epub 2013 Feb 14.

PMID:
23409774
12.

Fluorophore labeled kinase detects ligands that bind within the MAPK insert of p38α kinase.

Getlik M, Simard JR, Termathe M, Grütter C, Rabiller M, van Otterlo WA, Rauh D.

PLoS One. 2012;7(7):e39713. doi: 10.1371/journal.pone.0039713. Epub 2012 Jul 2.

13.

Direct binding assay for the detection of type IV allosteric inhibitors of Abl.

Schneider R, Becker C, Simard JR, Getlik M, Bohlke N, Janning P, Rauh D.

J Am Chem Soc. 2012 Jun 6;134(22):9138-41. doi: 10.1021/ja303858w. Epub 2012 May 25.

PMID:
22612329
14.

Targeting GSK3 from Ustilago maydis: type-II kinase inhibitors as potential antifungals.

Grütter C, Simard JR, Mayer-Wrangowski SC, Schreier PH, Pérez-Martín J, Richters A, Getlik M, Gutbrod O, Braun CA, Beck ME, Rauh D.

ACS Chem Biol. 2012 Jul 20;7(7):1257-67. doi: 10.1021/cb300128b. Epub 2012 May 15.

PMID:
22545924
15.

Mutations in the DDR2 kinase gene identify a novel therapeutic target in squamous cell lung cancer.

Hammerman PS, Sos ML, Ramos AH, Xu C, Dutt A, Zhou W, Brace LE, Woods BA, Lin W, Zhang J, Deng X, Lim SM, Heynck S, Peifer M, Simard JR, Lawrence MS, Onofrio RC, Salvesen HB, Seidel D, Zander T, Heuckmann JM, Soltermann A, Moch H, Koker M, Leenders F, Gabler F, Querings S, Ansén S, Brambilla E, Brambilla C, Lorimier P, Brustugun OT, Helland A, Petersen I, Clement JH, Groen H, Timens W, Sietsma H, Stoelben E, Wolf J, Beer DG, Tsao MS, Hanna M, Hatton C, Eck MJ, Janne PA, Johnson BE, Winckler W, Greulich H, Bass AJ, Cho J, Rauh D, Gray NS, Wong KK, Haura EB, Thomas RK, Meyerson M.

Cancer Discov. 2011 Jun;1(1):78-89. doi: 10.1158/2159-8274.CD-11-0005.

16.

Structure-based design, synthesis and biological evaluation of N-pyrazole, N'-thiazole urea inhibitors of MAP kinase p38α.

Getlik M, Grütter C, Simard JR, Nguyen HD, Robubi A, Aust B, van Otterlo WA, Rauh D.

Eur J Med Chem. 2012 Feb;48:1-15. doi: 10.1016/j.ejmech.2011.11.019. Epub 2011 Nov 18.

PMID:
22154891
17.

Fluorescence labels in kinases: a high-throughput kinase binding assay for the identification of DFG-out binding ligands.

Simard JR, Rauh D.

Methods Mol Biol. 2012;800:95-117. doi: 10.1007/978-1-61779-349-3_8.

PMID:
21964785
18.

Identification of Ustilago maydis Aurora kinase as a novel antifungal target.

Tückmantel S, Greul JN, Janning P, Brockmeyer A, Grütter C, Simard JR, Gutbrod O, Beck ME, Tietjen K, Rauh D, Schreier PH.

ACS Chem Biol. 2011 Sep 16;6(9):926-33. doi: 10.1021/cb200112y. Epub 2011 Jun 20.

PMID:
21671622
19.

Effect of growth media and washing on the spectral signatures of aerosolized biological simulants.

Laflamme C, Simard JR, Buteau S, Lahaie P, Nadeau D, Déry B, Houle O, Mathieu P, Roy G, Ho J, Duchaine C.

Appl Opt. 2011 Feb 20;50(6):788-96. doi: 10.1364/AO.50.000788.

PMID:
21343956
20.

Synthesis and biological evaluation of 7-substituted-1-(3-bromophenylamino)isoquinoline-4-carbonitriles as inhibitors of myosin light chain kinase and epidermal growth factor receptor.

Rode HB, Sos ML, Grütter C, Heynck S, Simard JR, Rauh D.

Bioorg Med Chem. 2011 Jan 1;19(1):429-39. doi: 10.1016/j.bmc.2010.11.007. Epub 2010 Nov 10.

PMID:
21130659
21.

Characterization of irreversible kinase inhibitors by directly detecting covalent bond formation: a tool for dissecting kinase drug resistance.

Klüter S, Simard JR, Rode HB, Grütter C, Pawar V, Raaijmakers HC, Barf TA, Rabiller M, van Otterlo WA, Rauh D.

Chembiochem. 2010 Dec 10;11(18):2557-66. doi: 10.1002/cbic.201000352.

PMID:
21080395
22.

Caveolins sequester FA on the cytoplasmic leaflet of the plasma membrane, augment triglyceride formation, and protect cells from lipotoxicity.

Simard JR, Meshulam T, Pillai BK, Kirber MT, Brunaldi K, Xu S, Pilch PF, Hamilton JA.

J Lipid Res. 2010 May;51(5):914-22. doi: 10.1194/jlr.M900251.

23.

Proteus in the world of proteins: conformational changes in protein kinases.

Rabiller M, Getlik M, Klüter S, Richters A, Tückmantel S, Simard JR, Rauh D.

Arch Pharm (Weinheim). 2010 Apr;343(4):193-206. doi: 10.1002/ardp.201000028. Review.

PMID:
20336692
24.

Fluorophore labeling of the glycine-rich loop as a method of identifying inhibitors that bind to active and inactive kinase conformations.

Simard JR, Getlik M, Grütter C, Schneider R, Wulfert S, Rauh D.

J Am Chem Soc. 2010 Mar 31;132(12):4152-60. doi: 10.1021/ja908083e.

PMID:
20201574
25.

Chemogenomic profiling provides insights into the limited activity of irreversible EGFR Inhibitors in tumor cells expressing the T790M EGFR resistance mutation.

Sos ML, Rode HB, Heynck S, Peifer M, Fischer F, Klüter S, Pawar VG, Reuter C, Heuckmann JM, Weiss J, Ruddigkeit L, Rabiller M, Koker M, Simard JR, Getlik M, Yuza Y, Chen TH, Greulich H, Thomas RK, Rauh D.

Cancer Res. 2010 Feb 1;70(3):868-74. doi: 10.1158/0008-5472.CAN-09-3106. Epub 2010 Jan 26.

26.

High-throughput screening to identify inhibitors which stabilize inactive kinase conformations in p38alpha.

Simard JR, Grütter C, Pawar V, Aust B, Wolf A, Rabiller M, Wulfert S, Robubi A, Klüter S, Ottmann C, Rauh D.

J Am Chem Soc. 2009 Dec 30;131(51):18478-88. doi: 10.1021/ja907795q.

PMID:
19950957
27.

Displacement assay for the detection of stabilizers of inactive kinase conformations.

Klüter S, Grütter C, Naqvi T, Rabiller M, Simard JR, Pawar V, Getlik M, Rauh D.

J Med Chem. 2010 Jan 14;53(1):357-67. doi: 10.1021/jm901297e.

PMID:
19928858
28.

Chemical and structural biology to direct the repurposing of sulindac.

Simard JR, Rauh D.

ChemMedChem. 2009 Nov;4(11):1793-5. doi: 10.1002/cmdc.200900384. No abstract available.

PMID:
19802856
29.

Fast diffusion of very long chain saturated fatty acids across a bilayer membrane and their rapid extraction by cyclodextrins: implications for adrenoleukodystrophy.

Pillai BK, Jasuja R, Simard JR, Hamilton JA.

J Biol Chem. 2009 Nov 27;284(48):33296-304. doi: 10.1074/jbc.M109.043737. Epub 2009 Sep 28.

30.

Development of a fluorescent-tagged kinase assay system for the detection and characterization of allosteric kinase inhibitors.

Simard JR, Getlik M, Grütter C, Pawar V, Wulfert S, Rabiller M, Rauh D.

J Am Chem Soc. 2009 Sep 23;131(37):13286-96. doi: 10.1021/ja902010p.

PMID:
19572644
31.

Hybrid compound design to overcome the gatekeeper T338M mutation in cSrc.

Getlik M, Grütter C, Simard JR, Klüter S, Rabiller M, Rode HB, Robubi A, Rauh D.

J Med Chem. 2009 Jul 9;52(13):3915-26. doi: 10.1021/jm9002928.

PMID:
19462975
32.

A new screening assay for allosteric inhibitors of cSrc.

Simard JR, Klüter S, Grütter C, Getlik M, Rabiller M, Rode HB, Rauh D.

Nat Chem Biol. 2009 Jun;5(6):394-6. doi: 10.1038/nchembio.162. Epub 2009 Apr 26.

PMID:
19396179
33.

Fatty acid flip-flop in a model membrane is faster than desorption into the aqueous phase.

Simard JR, Pillai BK, Hamilton JA.

Biochemistry. 2008 Sep 2;47(35):9081-9. doi: 10.1021/bi800697q. Epub 2008 Aug 12.

PMID:
18693753
34.

Structural insights into how irreversible inhibitors can overcome drug resistance in EGFR.

Michalczyk A, Klüter S, Rode HB, Simard JR, Grütter C, Rabiller M, Rauh D.

Bioorg Med Chem. 2008 Apr 1;16(7):3482-8. doi: 10.1016/j.bmc.2008.02.053. Epub 2008 Feb 20.

PMID:
18316192
35.

Measuring the adsorption of Fatty acids to phospholipid vesicles by multiple fluorescence probes.

Simard JR, Kamp F, Hamilton JA.

Biophys J. 2008 Jun;94(11):4493-503. doi: 10.1529/biophysj.107.121186. Epub 2008 Feb 22.

36.

Fluorescence assays for measuring fatty acid binding and transport through membranes.

Brunaldi K, Simard JR, Kamp F, Rewal C, Asawakarn T, O'Shea P, Hamilton JA.

Methods Mol Biol. 2007;400:237-55. Review.

PMID:
17951738
37.

Acrylodan-labeled intestinal fatty acid-binding protein to measure concentrations of unbound fatty acids.

Simard JR, Kamp F, Hamilton JA.

Methods Mol Biol. 2007;400:27-43. Review.

PMID:
17951725
38.

Location of high and low affinity fatty acid binding sites on human serum albumin revealed by NMR drug-competition analysis.

Simard JR, Zunszain PA, Hamilton JA, Curry S.

J Mol Biol. 2006 Aug 11;361(2):336-51. Epub 2006 Jun 30.

PMID:
16844140
39.

Role of caveolin-1 and cholesterol in transmembrane fatty acid movement.

Meshulam T, Simard JR, Wharton J, Hamilton JA, Pilch PF.

Biochemistry. 2006 Mar 7;45(9):2882-93.

PMID:
16503643
40.

Locating high-affinity fatty acid-binding sites on albumin by x-ray crystallography and NMR spectroscopy.

Simard JR, Zunszain PA, Ha CE, Yang JS, Bhagavan NV, Petitpas I, Curry S, Hamilton JA.

Proc Natl Acad Sci U S A. 2005 Dec 13;102(50):17958-63. Epub 2005 Dec 5.

41.

Measurement of the azimuthal dependence of cross-polarized lidar returns and its relation to optical depth.

Roy N, Roy G, Bissonnette LR, Simard JR.

Appl Opt. 2004 May 1;43(13):2777-85.

PMID:
15130019

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