Format
Sort by
Items per page

Send to

Choose Destination

Search results

Items: 1 to 50 of 59

1.

Antimalarial pantothenamide metabolites target acetyl-coenzyme A biosynthesis in Plasmodium falciparum.

Schalkwijk J, Allman EL, Jansen PAM, de Vries LE, Verhoef JMJ, Jackowski S, Botman PNM, Beuckens-Schortinghuis CA, Koolen KMJ, Bolscher JM, Vos MW, Miller K, Reeves SA, Pett H, Trevitt G, Wittlin S, Scheurer C, Sax S, Fischli C, Angulo-Barturen I, Jiménez-Diaz MB, Josling G, Kooij TWA, Bonnert R, Campo B, Blaauw RH, Rutjes FPJT, Sauerwein RW, Llinás M, Hermkens PHH, Dechering KJ.

Sci Transl Med. 2019 Sep 18;11(510). pii: eaas9917. doi: 10.1126/scitranslmed.aas9917.

PMID:
31534021
2.

Multi-ion Conduction in Li3OCl Glass Electrolytes.

Heenen HH, Voss J, Scheurer C, Reuter K, Luntz AC.

J Phys Chem Lett. 2019 May 2;10(9):2264-2269. doi: 10.1021/acs.jpclett.9b00500. Epub 2019 Apr 23.

PMID:
30995402
3.

Chemical shift reference scale for Li solid state NMR derived by first-principles DFT calculations.

Köcher SS, Schleker PPM, Graf MF, Eichel RA, Reuter K, Granwehr J, Scheurer C.

J Magn Reson. 2018 Dec;297:33-41. doi: 10.1016/j.jmr.2018.10.003. Epub 2018 Oct 9.

PMID:
30347386
4.

Ab Initio Simulation of pH-Sensitive Biomarkers in Magnetic Resonance Imaging.

Köcher SS, Düwel S, Hundshammer C, Glaser SJ, Schilling F, Granwehr J, Scheurer C.

J Phys Chem A. 2018 Oct 11;122(40):7983-7990. doi: 10.1021/acs.jpca.8b04665. Epub 2018 Oct 2.

PMID:
30222345
5.

The influence of conjugated alkynyl(aryl) surface groups on the optical properties of silicon nanocrystals: photoluminescence through in-gap states.

Angı A, Sinelnikov R, Heenen HH, Meldrum A, Veinot JGC, Scheurer C, Reuter K, Ashkenazy O, Azulay D, Balberg I, Millo O, Rieger B.

Nanotechnology. 2018 Aug 31;29(35):355705. doi: 10.1088/1361-6528/aac9ef. Epub 2018 Jun 4.

PMID:
29862985
6.

Addressing global uncertainty and sensitivity in first-principles based microkinetic models by an adaptive sparse grid approach.

Döpking S, Plaisance CP, Strobusch D, Reuter K, Scheurer C, Matera S.

J Chem Phys. 2018 Jan 21;148(3):034102. doi: 10.1063/1.5004770.

PMID:
29352783
7.

Efficient Implicit Solvation Method for Full Potential DFT.

Sinstein M, Scheurer C, Matera S, Blum V, Reuter K, Oberhofer H.

J Chem Theory Comput. 2017 Nov 14;13(11):5582-5603. doi: 10.1021/acs.jctc.7b00297. Epub 2017 Oct 13.

PMID:
28910530
8.

Benchmarks and Dielectric Constants for Reparametrized OPLS and Polarizable Force Field Models of Chlorinated Hydrocarbons.

Liu Z, Timmermann J, Reuter K, Scheurer C.

J Phys Chem B. 2018 Jan 18;122(2):770-779. doi: 10.1021/acs.jpcb.7b06709. Epub 2017 Sep 18.

PMID:
28832148
9.

Deuteration of Hyperpolarized 13 C-Labeled Zymonic Acid Enables Sensitivity-Enhanced Dynamic MRI of pH.

Hundshammer C, Düwel S, Köcher SS, Gersch M, Feuerecker B, Scheurer C, Haase A, Glaser SJ, Schwaiger M, Schilling F.

Chemphyschem. 2017 Sep 20;18(18):2422-2425. doi: 10.1002/cphc.201700779. Epub 2017 Aug 17.

PMID:
28719100
10.

Implications of Occupational Disorder on Ion Mobility in Li4Ti5O12 Battery Materials.

Heenen HH, Scheurer C, Reuter K.

Nano Lett. 2017 Jun 14;17(6):3884-3888. doi: 10.1021/acs.nanolett.7b01400. Epub 2017 May 22.

PMID:
28514174
11.

Antimalarial efficacy of MMV390048, an inhibitor of Plasmodium phosphatidylinositol 4-kinase.

Paquet T, Le Manach C, Cabrera DG, Younis Y, Henrich PP, Abraham TS, Lee MCS, Basak R, Ghidelli-Disse S, Lafuente-Monasterio MJ, Bantscheff M, Ruecker A, Blagborough AM, Zakutansky SE, Zeeman AM, White KL, Shackleford DM, Mannila J, Morizzi J, Scheurer C, Angulo-Barturen I, Martínez MS, Ferrer S, Sanz LM, Gamo FJ, Reader J, Botha M, Dechering KJ, Sauerwein RW, Tungtaeng A, Vanachayangkul P, Lim CS, Burrows J, Witty MJ, Marsh KC, Bodenreider C, Rochford R, Solapure SM, Jiménez-Díaz MB, Wittlin S, Charman SA, Donini C, Campo B, Birkholtz LM, Hanson KK, Drewes G, Kocken CHM, Delves MJ, Leroy D, Fidock DA, Waterson D, Street LJ, Chibale K.

Sci Transl Med. 2017 Apr 26;9(387). pii: eaad9735. doi: 10.1126/scitranslmed.aad9735.

12.

In vitro activity of anti-malarial ozonides against an artemisinin-resistant isolate.

Baumgärtner F, Jourdan J, Scheurer C, Blasco B, Campo B, Mäser P, Wittlin S.

Malar J. 2017 Jan 25;16(1):45. doi: 10.1186/s12936-017-1696-0.

13.

Structure-Activity Relationship of the Antimalarial Ozonide Artefenomel (OZ439).

Dong Y, Wang X, Kamaraj S, Bulbule VJ, Chiu FC, Chollet J, Dhanasekaran M, Hein CD, Papastogiannidis P, Morizzi J, Shackleford DM, Barker H, Ryan E, Scheurer C, Tang Y, Zhao Q, Zhou L, White KL, Urwyler H, Charman WN, Matile H, Wittlin S, Charman SA, Vennerstrom JL.

J Med Chem. 2017 Apr 13;60(7):2654-2668. doi: 10.1021/acs.jmedchem.6b01586. Epub 2017 Jan 18.

PMID:
28052200
14.

Characterization of Novel Antimalarial Compound ACT-451840: Preclinical Assessment of Activity and Dose-Efficacy Modeling.

Le Bihan A, de Kanter R, Angulo-Barturen I, Binkert C, Boss C, Brun R, Brunner R, Buchmann S, Burrows J, Dechering KJ, Delves M, Ewerling S, Ferrer S, Fischli C, Gamo-Benito FJ, Gnädig NF, Heidmann B, Jiménez-Díaz MB, Leroy D, Martínez MS, Meyer S, Moehrle JJ, Ng CL, Noviyanti R, Ruecker A, Sanz LM, Sauerwein RW, Scheurer C, Schleiferboeck S, Sinden R, Snyder C, Straimer J, Wirjanata G, Marfurt J, Price RN, Weller T, Fischli W, Fidock DA, Clozel M, Wittlin S.

PLoS Med. 2016 Oct 4;13(10):e1002138. doi: 10.1371/journal.pmed.1002138. eCollection 2016 Oct.

15.

Identification and deconvolution of cross-resistance signals from antimalarial compounds using multidrug-resistant Plasmodium falciparum strains.

Chugh M, Scheurer C, Sax S, Bilsland E, van Schalkwyk DA, Wicht KJ, Hofmann N, Sharma A, Bashyam S, Singh S, Oliver SG, Egan TJ, Malhotra P, Sutherland CJ, Beck HP, Wittlin S, Spangenberg T, Ding XC.

Antimicrob Agents Chemother. 2015 Feb;59(2):1110-8. doi: 10.1128/AAC.03265-14. Epub 2014 Dec 8.

16.

Novel synthetic route for antimalarial benzo[a]phenoxazine derivative SSJ-183 and two active metabolites.

Mizukawa Y, Ge JF, Bakar Md A, Itoh I, Scheurer C, Wittlin S, Brun R, Matsuoka H, Ihara M.

Bioorg Med Chem. 2014 Jul 15;22(14):3749-52. doi: 10.1016/j.bmc.2014.04.066. Epub 2014 May 10.

PMID:
24856305
17.

Adaptive sparse grid expansions of the vibrational Hamiltonian.

Strobusch D, Scheurer Ch.

J Chem Phys. 2014 Feb 21;140(7):074111. doi: 10.1063/1.4864356.

PMID:
24559342
18.

["How can I help you?"].

Scheurer C, Schlegel C.

Krankenpfl Soins Infirm. 2013;106(11):89. Italian. No abstract available.

PMID:
24479234
19.

In vitro and in vivo characterization of the antimalarial lead compound SSJ-183 in Plasmodium models.

Schleiferböck S, Scheurer C, Ihara M, Itoh I, Bathurst I, Burrows JN, Fantauzzi P, Lotharius J, Charman SA, Morizzi J, Shackleford DM, White KL, Brun R, Wittlin S.

Drug Des Devel Ther. 2013 Nov 15;7:1377-84. doi: 10.2147/DDDT.S51298. eCollection 2013.

20.

Fast in vitro methods to determine the speed of action and the stage-specificity of anti-malarials in Plasmodium falciparum.

Le Manach C, Scheurer C, Sax S, Schleiferböck S, Cabrera DG, Younis Y, Paquet T, Street L, Smith P, Ding XC, Waterson D, Witty MJ, Leroy D, Chibale K, Wittlin S.

Malar J. 2013 Nov 16;12:424. doi: 10.1186/1475-2875-12-424.

21.

The adaptive hierarchical expansion of the kinetic energy operator.

Strobusch D, Nest M, Scheurer C.

J Comput Chem. 2013 May 30;34(14):1210-7. doi: 10.1002/jcc.23241. Epub 2013 Apr 8.

PMID:
23564653
22.

Comparative antimalarial activities and ADME profiles of ozonides (1,2,4-trioxolanes) OZ277, OZ439, and their 1,2-dioxolane, 1,2,4-trioxane, and 1,2,4,5-tetraoxane isosteres.

Wang X, Dong Y, Wittlin S, Charman SA, Chiu FC, Chollet J, Katneni K, Mannila J, Morizzi J, Ryan E, Scheurer C, Steuten J, Santo Tomas J, Snyder C, Vennerstrom JL.

J Med Chem. 2013 Mar 28;56(6):2547-55. doi: 10.1021/jm400004u. Epub 2013 Mar 15.

PMID:
23489135
23.

A general nuclear motion Hamiltonian and non-internal curvilinear coordinates.

Strobusch D, Scheurer Ch.

J Chem Phys. 2013 Mar 7;138(9):094107. doi: 10.1063/1.4793627.

PMID:
23485277
24.

Structure-activity relationship studies of orally active antimalarial 3,5-substituted 2-aminopyridines.

González Cabrera D, Douelle F, Younis Y, Feng TS, Le Manach C, Nchinda AT, Street LJ, Scheurer C, Kamber J, White KL, Montagnat OD, Ryan E, Katneni K, Zabiulla KM, Joseph JT, Bashyam S, Waterson D, Witty MJ, Charman SA, Wittlin S, Chibale K.

J Med Chem. 2012 Dec 27;55(24):11022-30. doi: 10.1021/jm301476b. Epub 2012 Dec 14.

PMID:
23189922
25.

Hydrogen bonding characteristics of 2-pyrrolidinone: a joint experimental and theoretical study.

Maiti KS, Samsonyuk A, Scheurer C, Steinel T.

Phys Chem Chem Phys. 2012 Dec 21;14(47):16294-300. doi: 10.1039/c2cp43114a. Epub 2012 Nov 6.

PMID:
23131773
26.

Configuration space partitioning and matrix buildup scaling for the vibrational configuration interaction method.

Samsonyuk A, Scheurer C.

J Comput Chem. 2013 Jan 5;34(1):27-37. doi: 10.1002/jcc.23101. Epub 2012 Aug 31.

PMID:
22936205
27.

Isothermal microcalorimetry, a new tool to monitor drug action against Trypanosoma brucei and Plasmodium falciparum.

Wenzler T, Steinhuber A, Wittlin S, Scheurer C, Brun R, Trampuz A.

PLoS Negl Trop Dis. 2012;6(6):e1668. doi: 10.1371/journal.pntd.0001668. Epub 2012 Jun 5.

28.

The activities of current antimalarial drugs on the life cycle stages of Plasmodium: a comparative study with human and rodent parasites.

Delves M, Plouffe D, Scheurer C, Meister S, Wittlin S, Winzeler EA, Sinden RE, Leroy D.

PLoS Med. 2012 Feb;9(2):e1001169. doi: 10.1371/journal.pmed.1001169. Epub 2012 Feb 21.

29.
30.

Hierarchical expansion of the kinetic energy operator in curvilinear coordinates for the vibrational self-consistent field method.

Strobusch D, Scheurer Ch.

J Chem Phys. 2011 Sep 28;135(12):124102. doi: 10.1063/1.3637629.

PMID:
21974507
31.

Synthetic ozonide drug candidate OZ439 offers new hope for a single-dose cure of uncomplicated malaria.

Charman SA, Arbe-Barnes S, Bathurst IC, Brun R, Campbell M, Charman WN, Chiu FC, Chollet J, Craft JC, Creek DJ, Dong Y, Matile H, Maurer M, Morizzi J, Nguyen T, Papastogiannidis P, Scheurer C, Shackleford DM, Sriraghavan K, Stingelin L, Tang Y, Urwyler H, Wang X, White KL, Wittlin S, Zhou L, Vennerstrom JL.

Proc Natl Acad Sci U S A. 2011 Mar 15;108(11):4400-5. doi: 10.1073/pnas.1015762108. Epub 2011 Feb 7.

32.

Thiazolopyrimidine inhibitors of 2-methylerythritol 2,4-cyclodiphosphate synthase (IspF) from Mycobacterium tuberculosis and Plasmodium falciparum.

Geist JG, Lauw S, Illarionova V, Illarionov B, Fischer M, Gräwert T, Rohdich F, Eisenreich W, Kaiser J, Groll M, Scheurer C, Wittlin S, Alonso-Gómez JL, Schweizer WB, Bacher A, Diederich F.

ChemMedChem. 2010 Jul 5;5(7):1092-101. doi: 10.1002/cmdc.201000083.

PMID:
20480490
33.

The comparative antimalarial properties of weak base and neutral synthetic ozonides.

Tang Y, Wittlin S, Charman SA, Chollet J, Chiu FC, Morizzi J, Johnson LM, Tomas JS, Scheurer C, Snyder C, Zhou L, Dong Y, Charman WN, Matile H, Urwyler H, Dorn A, Vennerstrom JL.

Bioorg Med Chem Lett. 2010 Jan 15;20(2):563-6. doi: 10.1016/j.bmcl.2009.11.088. Epub 2009 Nov 22.

PMID:
19962893
34.

The structure-activity relationship of the antimalarial ozonide arterolane (OZ277).

Dong Y, Wittlin S, Sriraghavan K, Chollet J, Charman SA, Charman WN, Scheurer C, Urwyler H, Santo Tomas J, Snyder C, Creek DJ, Morizzi J, Koltun M, Matile H, Wang X, Padmanilayam M, Tang Y, Dorn A, Brun R, Vennerstrom JL.

J Med Chem. 2010 Jan 14;53(1):481-91. doi: 10.1021/jm901473s.

PMID:
19924861
35.

Spiroadamantyl 1,2,4-trioxolane, 1,2,4-trioxane, and 1,2,4-trioxepane pairs: relationship between peroxide bond iron(II) reactivity, heme alkylation efficiency, and antimalarial activity.

Wang X, Creek DJ, Schiaffo CE, Dong Y, Chollet J, Scheurer C, Wittlin S, Charman SA, Dussault PH, Wood JK, Vennerstrom JL.

Bioorg Med Chem Lett. 2009 Aug 15;19(16):4542-5. doi: 10.1016/j.bmcl.2009.07.013. Epub 2009 Jul 9.

PMID:
19616946
36.

In vitro assessment of the pharmacodynamic properties of DB75, piperaquine, OZ277 and OZ401 in cultures of Plasmodium falciparum.

Hofer S, Brun R, Maerki S, Matile H, Scheurer C, Wittlin S.

J Antimicrob Chemother. 2008 Nov;62(5):1061-4. doi: 10.1093/jac/dkn315. Epub 2008 Jul 30.

PMID:
18669520
37.

Characterization of the two major CYP450 metabolites of ozonide (1,2,4-trioxolane) OZ277.

Zhou L, Alker A, Ruf A, Wang X, Chiu FC, Morizzi J, Charman SA, Charman WN, Scheurer C, Wittlin S, Dong Y, Hunziker D, Vennerstrom JL.

Bioorg Med Chem Lett. 2008 Mar 1;18(5):1555-8. doi: 10.1016/j.bmcl.2008.01.087. Epub 2008 Jan 30.

PMID:
18262417
38.

Spiro- and dispiro-1,2-dioxolanes: contribution of iron(II)-mediated one-electron vs two-electron reduction to the activity of antimalarial peroxides.

Wang X, Dong Y, Wittlin S, Creek D, Chollet J, Charman SA, Tomas JS, Scheurer C, Snyder C, Vennerstrom JL.

J Med Chem. 2007 Nov 15;50(23):5840-7. Epub 2007 Oct 20.

PMID:
17949067
39.

In vitro susceptibility of P. falciparum populations from Colombia and Tanzania to a new synthetic peroxide (OZ277).

Osorio L, Murillo C, Aponte S, Mayagaya V, Scheurer C, Brun R, Matile H, Wittlin S.

Am J Trop Med Hyg. 2007 Jun;76(6):1024-6.

PMID:
17556605
40.

2D infrared chemical exchange spectroscopy of ultrafast isomerizations.

Scheurer C, Steinel T.

Chemphyschem. 2007 Mar 12;8(4):503-5. No abstract available.

PMID:
17286325
41.

In vitro and in vivo interaction of synthetic peroxide RBx11160 (OZ277) with piperaquine in Plasmodium models.

Snyder C, Chollet J, Santo-Tomas J, Scheurer C, Wittlin S.

Exp Parasitol. 2007 Mar;115(3):296-300. Epub 2006 Nov 7.

PMID:
17087929
42.

Endometrial safety, overall safety and tolerability of transdermal continuous combined hormone replacement therapy over 96 weeks: a randomized open-label study.

Samsioe G, Boschitsch E, Concin H, De Geyter C, Ehrenborg A, Heikkinen J, Hobson R, Arguinzoniz M, Ibarra de Palacios P, Scheurer C, Schmidt G; Estalis 50/140 Study Group.

Climacteric. 2006 Oct;9(5):368-79.

PMID:
17080587
43.

Optically probing spin and charge interactions in a tunable artificial molecule.

Krenner HJ, Clark EC, Nakaoka T, Bichler M, Scheurer C, Abstreiter G, Finley JJ.

Phys Rev Lett. 2006 Aug 18;97(7):076403. Epub 2006 Aug 17.

PMID:
17026254
44.

Antimalarial activity of N-alkyl amine, carboxamide, sulfonamide, and urea derivatives of a dispiro-1,2,4-trioxolane piperidine.

Padmanilayam M, Scorneaux B, Dong Y, Chollet J, Matile H, Charman SA, Creek DJ, Charman WN, Tomas JS, Scheurer C, Wittlin S, Brun R, Vennerstrom JL.

Bioorg Med Chem Lett. 2006 Nov 1;16(21):5542-5. Epub 2006 Aug 22.

PMID:
16931006
45.

Effect of functional group polarity on the antimalarial activity of spiro and dispiro-1,2,4-trioxolanes.

Dong Y, Tang Y, Chollet J, Matile H, Wittlin S, Charman SA, Charman WN, Tomas JS, Scheurer C, Snyder C, Scorneaux B, Bajpai S, Alexander SA, Wang X, Padmanilayam M, Cheruku SR, Brun R, Vennerstrom JL.

Bioorg Med Chem. 2006 Sep 15;14(18):6368-82. Epub 2006 Jun 8.

PMID:
16759871
46.

MRI of the brain and cervical spinal cord in rhizomelic chondrodysplasia punctata.

Bams-Mengerink AM, Majoie CB, Duran M, Wanders RJ, Van Hove J, Scheurer CD, Barth PG, Poll-The BT.

Neurology. 2006 Mar 28;66(6):798-803; discussion 789.

PMID:
16567694
47.

Plasmodium vivax: in vitro susceptibility of blood stages to synthetic trioxolane compounds and the diamidine DB75.

Kocken CH, van der Wel A, Arbe-Barnes S, Brun R, Matile H, Scheurer C, Wittlin S, Thomas AW.

Exp Parasitol. 2006 Jul;113(3):197-200. Epub 2006 Feb 3.

PMID:
16458301
48.

Hormone replacement therapy and breast density changes.

Harvey J, Scheurer C, Kawakami FT, Quebe-Fehling E, de Palacios PI, Ragavan VV.

Climacteric. 2005 Jun;8(2):185-92.

PMID:
16096175
49.

Spiro and dispiro-1,2,4-trioxolanes as antimalarial peroxides: charting a workable structure-activity relationship using simple prototypes.

Dong Y, Chollet J, Matile H, Charman SA, Chiu FC, Charman WN, Scorneaux B, Urwyler H, Santo Tomas J, Scheurer C, Snyder C, Dorn A, Wang X, Karle JM, Tang Y, Wittlin S, Brun R, Vennerstrom JL.

J Med Chem. 2005 Jul 28;48(15):4953-61.

PMID:
16033274
50.

Estimates of methyl 13C and 1H CSA values (Deltasigma) in proteins from cross-correlated spin relaxation.

Tugarinov V, Scheurer C, Brüschweiler R, Kay LE.

J Biomol NMR. 2004 Dec;30(4):397-406.

PMID:
15630560

Supplemental Content

Loading ...
Support Center