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Deciphering the Peculiar Behavior of β-Lapachone in Lipid Monolayers and Bilayers.
Wu X, Chantemargue B, Di Meo F, Bourgaux C, Chapron D, Trouillas P, Rosilio V.
Langmuir. 2019 Nov 12;35(45):14603-14615. doi: 10.1021/acs.langmuir.9b02886. Epub 2019 Oct 31.
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GASP-1 and GASP-2, two closely structurally related proteins with a functional duality in antitrypsin inhibition specificity: a mechanistic point of view.
Parenté A, Di Meo F, Lapeyronie E, Al Mansi M, Delourme D, Pélissier P, Brémaud L, Trouillas P, Blanquet V.
FEBS J. 2019 Sep 26. doi: 10.1111/febs.15072. [Epub ahead of print]
Redox properties of individual quercetin moieties.
Heřmánková E, Zatloukalová M, Biler M, Sokolová R, Bancířová M, Tzakos AG, Křen V, Kuzma M, Trouillas P, Vacek J.
Free Radic Biol Med. 2019 Nov 1;143:240-251. doi: 10.1016/j.freeradbiomed.2019.08.001. Epub 2019 Aug 2.
Nitrone-Trolox conjugate as an inhibitor of lipid oxidation: Towards synergistic antioxidant effects.
Socrier L, Rosselin M, Gomez Giraldo AM, Chantemargue B, Di Meo F, Trouillas P, Durand G, Morandat S.
Biochim Biophys Acta Biomembr. 2019 Aug 1;1861(8):1489-1501. doi: 10.1016/j.bbamem.2019.06.008. Epub 2019 Jun 24.
Lignin Modification Supported by DFT-Based Theoretical Study as a Way to Produce Competitive Natural Antioxidants.
Lauberte L, Fabre G, Ponomarenko J, Dizhbite T, Evtuguin DV, Telysheva G, Trouillas P.
Molecules. 2019 May 9;24(9). pii: E1794. doi: 10.3390/molecules24091794.
Antioxidant-Inspired Drug Discovery: Antitumor Metabolite Is Formed in Situ from a Hydroxycinnamic Acid Derivative upon Free-Radical Scavenging.
Fási L, Di Meo F, Kuo CY, Stojkovic Buric S, Martins A, Kúsz N, Béni Z, Dékány M, Balogh GT, Pesic M, Wang HC, Trouillas P, Hunyadi A.
J Med Chem. 2019 Feb 14;62(3):1657-1668. doi: 10.1021/acs.jmedchem.8b01994. Epub 2019 Jan 22.
Tuning Optical Properties of Chalcone Derivatives: A Computational Study.
Bayach I, D'Aleó A, Trouillas P.
J Phys Chem A. 2019 Jan 10;123(1):194-201. doi: 10.1021/acs.jpca.8b08529. Epub 2018 Dec 31.
Lipid bilayer position and orientation of novel carprofens, modulators of γ-secretase in Alzheimer's disease.
Salnikov E, Drung B, Fabre G, Itkin A, Otyepka M, Dencher NA, Schmidt B, Hauß T, Trouillas P, Bechinger B.
Biochim Biophys Acta Biomembr. 2018 Nov;1860(11):2224-2233. doi: 10.1016/j.bbamem.2018.09.003. Epub 2018 Sep 7.
Binding Modes and Selectivity of Ruthenium Complexes to Human Telomeric DNA G-Quadruplexes.
Rubio-Magnieto J, Kajouj S, Di Meo F, Fossépré M, Trouillas P, Norman P, Linares M, Moucheron C, Surin M.
Chemistry. 2018 Oct 17;24(58):15577-15588. doi: 10.1002/chem.201802147. Epub 2018 Sep 14.
Combining (Non)linear Optical and Fluorescence Analysis of DiD To Enhance Lipid Phase Recognition.
Osella S, Di Meo F, Murugan NA, Fabre G, Ameloot M, Trouillas P, Knippenberg S.
J Chem Theory Comput. 2018 Oct 9;14(10):5350-5359. doi: 10.1021/acs.jctc.8b00553. Epub 2018 Sep 26.
Local low dose curcumin treatment improves functional recovery and remyelination in a rat model of sciatic nerve crush through inhibition of oxidative stress.
Caillaud M, Chantemargue B, Richard L, Vignaud L, Favreau F, Faye PA, Vignoles P, Sturtz F, Trouillas P, Vallat JM, Desmoulière A, Billet F.
Neuropharmacology. 2018 Sep 1;139:98-116. doi: 10.1016/j.neuropharm.2018.07.001. Epub 2018 Jul 3.
Atomistic Picture of Fluorescent Probes with Hydrocarbon Tails in Lipid Bilayer Membranes: An Investigation of Selective Affinities and Fluorescent Anisotropies in Different Environmental Phases.
Knippenberg S, Fabre G, Osella S, Di Meo F, Paloncýová M, Ameloot M, Trouillas P.
Langmuir. 2018 Jul 31;34(30):9072-9084. doi: 10.1021/acs.langmuir.8b01164. Epub 2018 Jul 19.
Structural patterns of the human ABCC4/MRP4 exporter in lipid bilayers rationalize clinically observed polymorphisms.
Chantemargue B, Di Meo F, Berka K, Picard N, Arnion H, Essig M, Marquet P, Otyepka M, Trouillas P.
Pharmacol Res. 2018 Jul;133:318-327. doi: 10.1016/j.phrs.2018.02.029. Epub 2018 Mar 10.
Chemoenzymatic Preparation and Biophysical Properties of Sulfated Quercetin Metabolites.
Valentová K, Káňová K, Di Meo F, Pelantová H, Chambers CS, Rydlová L, Petrásková L, Křenková A, Cvačka J, Trouillas P, Křen V.
Int J Mol Sci. 2017 Oct 25;18(11). pii: E2231. doi: 10.3390/ijms18112231.
Single nucleotide polymorphisms of ABCC2 modulate renal secretion of endogenous organic anions.
Muhrez K, Largeau B, Emond P, Montigny F, Halimi JM, Trouillas P, Barin-Le Guellec C.
Biochem Pharmacol. 2017 Sep 15;140:124-138. doi: 10.1016/j.bcp.2017.05.012. Epub 2017 May 19.
Impact of lipid composition and photosensitizer hydrophobicity on the efficiency of light-triggered liposomal release.
Massiot J, Makky A, Di Meo F, Chapron D, Trouillas P, Rosilio V.
Phys Chem Chem Phys. 2017 May 10;19(18):11460-11473. doi: 10.1039/c7cp00983f.
Novel flavonolignan hybrid antioxidants: From enzymatic preparation to molecular rationalization.
Vavříková E, Křen V, Jezova-Kalachova L, Biler M, Chantemargue B, Pyszková M, Riva S, Kuzma M, Valentová K, Ulrichová J, Vrba J, Trouillas P, Vacek J.
Eur J Med Chem. 2017 Feb 15;127:263-274. doi: 10.1016/j.ejmech.2016.12.051. Epub 2016 Dec 26.
p-Hydroxyphenyl-pyranoanthocyanins: An Experimental and Theoretical Investigation of Their Acid-Base Properties and Molecular Interactions.
Vallverdú-Queralt A, Biler M, Meudec E, Guernevé CL, Vernhet A, Mazauric JP, Legras JL, Loonis M, Trouillas P, Cheynier V, Dangles O.
Int J Mol Sci. 2016 Nov 5;17(11). pii: E1842.
Unravelling the immunopathological mechanisms of heavy chain deposition disease with implications for clinical management.
Bridoux F, Javaugue V, Bender S, Leroy F, Aucouturier P, Debiais-Delpech C, Goujon JM, Quellard N, Bonaud A, Clavel M, Trouillas P, Di Meo F, Gombert JM, Fermand JP, Jaccard A, Cogné M, Touchard G, Sirac C.
Kidney Int. 2017 Feb;91(2):423-434. doi: 10.1016/j.kint.2016.09.004. Epub 2016 Oct 20.
Dimerization of quercetin, Diels-Alder vs. radical-coupling approach: a joint thermodynamics, kinetics, and topological study.
Fourré I, Di Meo F, Podloucká P, Otyepka M, Trouillas P.
J Mol Model. 2016 Aug;22(8):190. doi: 10.1007/s00894-016-3051-8. Epub 2016 Jul 24.
Multidrug resistance-associated protein 4 (MRP4) controls ganciclovir intracellular accumulation and contributes to ganciclovir-induced neutropenia in renal transplant patients.
Billat PA, Ossman T, Saint-Marcoux F, Essig M, Rerolle JP, Kamar N, Rostaing L, Kaminski H, Fabre G, Otyepka M, Woillard JB, Marquet P, Trouillas P, Picard N.
Pharmacol Res. 2016 Sep;111:501-508. doi: 10.1016/j.phrs.2016.07.012. Epub 2016 Jul 9. Review.
In silico pharmacology: Drug membrane partitioning and crossing.
Di Meo F, Fabre G, Berka K, Ossman T, Chantemargue B, Paloncýová M, Marquet P, Otyepka M, Trouillas P.
Pharmacol Res. 2016 Sep;111:471-486. doi: 10.1016/j.phrs.2016.06.030. Epub 2016 Jul 1. Review.
Flavonolignans As a Novel Class of Sodium Pump Inhibitors.
Kubala M, Čechová P, Geletičová J, Biler M, Štenclová T, Trouillas P, Biedermann D.
Front Physiol. 2016 Mar 30;7:115. doi: 10.3389/fphys.2016.00115. eCollection 2016.
A Blue-Light-Emitting BODIPY Probe for Lipid Membranes.
Bacalum M, Wang L, Boodts S, Yuan P, Leen V, Smisdom N, Fron E, Knippenberg S, Fabre G, Trouillas P, Beljonne D, Dehaen W, Boens N, Ameloot M.
Langmuir. 2016 Apr 12;32(14):3495-505. doi: 10.1021/acs.langmuir.6b00478. Epub 2016 Mar 29.
Stabilizing and Modulating Color by Copigmentation: Insights from Theory and Experiment.
Trouillas P, Sancho-García JC, De Freitas V, Gierschner J, Otyepka M, Dangles O.
Chem Rev. 2016 May 11;116(9):4937-82. doi: 10.1021/acs.chemrev.5b00507. Epub 2016 Mar 9. Review.
Flavonolignan 2,3-dehydroderivatives: Preparation, antiradical and cytoprotective activity.
Pyszková M, Biler M, Biedermann D, Valentová K, Kuzma M, Vrba J, Ulrichová J, Sokolová R, Mojović M, Popović-Bijelić A, Kubala M, Trouillas P, Křen V, Vacek J.
Free Radic Biol Med. 2016 Jan;90:114-25. doi: 10.1016/j.freeradbiomed.2015.11.014. Epub 2015 Nov 12.
Unraveling the performance of dispersion-corrected functionals for the accurate description of weakly bound natural polyphenols.
Di Meo F, Bayach I, Trouillas P, Sancho-García JC.
J Mol Model. 2015 Nov;21(11):291. doi: 10.1007/s00894-015-2838-3. Epub 2015 Oct 26.
Lipocarbazole, an efficient lipid peroxidation inhibitor anchored in the membrane.
Fabre G, Hänchen A, Calliste CA, Berka K, Banala S, Otyepka M, Süssmuth RD, Trouillas P.
Bioorg Med Chem. 2015 Aug 1;23(15):4866-70. doi: 10.1016/j.bmc.2015.05.031. Epub 2015 May 27.
Synergism of antioxidant action of vitamins E, C and quercetin is related to formation of molecular associations in biomembranes.
Fabre G, Bayach I, Berka K, Paloncýová M, Starok M, Rossi C, Duroux JL, Otyepka M, Trouillas P.
Chem Commun (Camb). 2015 May 4;51(36):7713-6. doi: 10.1039/c5cc00636h.
Early fibrinogen degradation coagulopathy: a predictive factor of parenchymal hematomas in cerebral rt-PA thrombolysis.
Sun X, Berthiller J, Trouillas P, Derex L, Diallo L, Hanss M.
J Neurol Sci. 2015 Apr 15;351(1-2):109-114. doi: 10.1016/j.jns.2015.02.048. Epub 2015 Mar 6.
Post-thrombolysis haemostasis changes after rt-PA treatment in acute cerebral infarct. Correlations with cardioembolic aetiology and outcome.
Sun X, Berthiller J, Derex L, Trouillas P, Diallo L, Hanss M.
J Neurol Sci. 2015 Feb 15;349(1-2):77-83. doi: 10.1016/j.jns.2014.12.029. Epub 2014 Dec 29.
Oligostilbenoids from the heartwood of N. Heimii: role of non-covalent association in their biogenesis.
Bayach I, Manshoor N, Sancho-García JC, Choudhary MI, Trouillas P, Weber JF.
Chem Asian J. 2015 Jan;10(1):198-211. doi: 10.1002/asia.201402673. Epub 2014 Sep 18.
Quercetin-imprinted chromatographic sorbents revisited: optimization of synthesis and rebinding protocols for application to natural resources.
Pardo A, Mespouille L, Blankert B, Trouillas P, Surin M, Dubois P, Duez P.
J Chromatogr A. 2014 Oct 17;1364:128-39. doi: 10.1016/j.chroma.2014.08.064. Epub 2014 Aug 27.
Benchmarking of Force Fields for Molecule-Membrane Interactions.
Paloncýová M, Fabre G, DeVane RH, Trouillas P, Berka K, Otyepka M.
J Chem Theory Comput. 2014 Sep 9;10(9):4143-51. doi: 10.1021/ct500419b. Epub 2014 Jul 8.
cis-trans Isomerization of silybins A and B.
Novotná M, Gažák R, Biedermann D, Di Meo F, Marhol P, Kuzma M, Bednárová L, Fuksová K, Trouillas P, Křen V.
Beilstein J Org Chem. 2014 May 8;10:1047-1063. doi: 10.3762/bjoc.10.105. eCollection 2014.
Elucidation of antioxidant properties of wood bark derived saturated diarylheptanoids: a comprehensive (DFT-supported) understanding.
Ponomarenko J, Trouillas P, Martin N, Dizhbite T, Krasilnikova J, Telysheva G.
Phytochemistry. 2014 Jul;103:178-187. doi: 10.1016/j.phytochem.2014.03.010. Epub 2014 Apr 3.
Stereochemistry and conformation of skyllamycin, a non-ribosomally synthesized peptide from Streptomyces sp. Acta 2897.
Schubert V, Di Meo F, Saaidi PL, Bartoschek S, Fiedler HP, Trouillas P, Süssmuth RD.
Chemistry. 2014 Apr 22;20(17):4948-55. doi: 10.1002/chem.201304562. Epub 2014 Mar 12.
Antioxidant properties of phenolic Schiff bases: structure-activity relationship and mechanism of action.
Anouar el H, Raweh S, Bayach I, Taha M, Baharudin MS, Di Meo F, Hasan MH, Adam A, Ismail NH, Weber JF, Trouillas P.
J Comput Aided Mol Des. 2013 Nov;27(11):951-64. doi: 10.1007/s10822-013-9692-0. Epub 2013 Nov 16.
Application of recent double-hybrid density functionals to low-lying singlet-singlet excitation energies of large organic compounds.
Di Meo F, Trouillas P, Adamo C, Sancho-García JC.
J Chem Phys. 2013 Oct 28;139(16):164104. doi: 10.1063/1.4825359.
Synthesis, molecular structure, computational study and in vitro anticancer activity of dinuclear thiolato-bridged pentamethylcyclopentadienyl Rh(III) and Ir(III) complexes.
Gupta G, Garci A, Murray BS, Dyson PJ, Fabre G, Trouillas P, Giannini F, Furrer J, Süss-Fink G, Therrien B.
Dalton Trans. 2013 Nov 21;42(43):15457-63. doi: 10.1039/c3dt51991k.
Tuning color variation in grape anthocyanins at the molecular scale.
Rustioni L, Di Meo F, Guillaume M, Failla O, Trouillas P.
Food Chem. 2013 Dec 15;141(4):4349-57. doi: 10.1016/j.foodchem.2013.07.006. Epub 2013 Jul 9.
Antioxidant, metal-binding and DNA-damaging properties of flavonolignans: a joint experimental and computational highlight based on 7-O-galloylsilybin.
Vacek J, Zatloukalová M, Desmier T, Nezhodová V, Hrbáč J, Kubala M, Křen V, Ulrichová J, Trouillas P.
Chem Biol Interact. 2013 Oct 5;205(3):173-80. doi: 10.1016/j.cbi.2013.07.006. Epub 2013 Jul 18.
Mechanism of one-electron oxidation of metformin in aqueous solution.
Trouillas P, Marchetti C, Bonnefont-Rousselot D, Lazzaroni R, Jore D, Gardès-Albert M, Collin F.
Phys Chem Chem Phys. 2013 Jun 28;15(24):9871-8. doi: 10.1039/c3cp50602a.
Lipid bilayer membrane affinity rationalizes inhibition of lipid peroxidation by a natural lignan antioxidant.
Podloucká P, Berka K, Fabre G, Paloncýová M, Duroux JL, Otyepka M, Trouillas P.
J Phys Chem B. 2013 May 2;117(17):5043-9. doi: 10.1021/jp3127829. Epub 2013 Apr 16.
Conformational investigation of antibiotic proximicin by X-ray structure analysis and quantum studies suggest a stretched conformation of this type of γ-peptide.
Denisiuk A, Schubert V, Wolter FE, Irran E, Trouillas P, Süssmuth RD.
Bioorg Med Chem. 2013 Jun 15;21(12):3582-9. doi: 10.1016/j.bmc.2013.02.051. Epub 2013 Mar 16.
Regio- and stereocontrolled synthesis of oligostilbenoids: theoretical highlights at the supramolecular level.
Velu SS, Di Meo F, Trouillas P, Sancho-Garcia JC, Weber JF.
J Nat Prod. 2013 Apr 26;76(4):538-46. doi: 10.1021/np300705p. Epub 2013 Feb 26.
Acylglucuronide in alkaline conditions: migration vs. hydrolysis.
Di Meo F, Steel M, Nicolas P, Marquet P, Duroux JL, Trouillas P.
J Mol Model. 2013 Jun;19(6):2423-32. doi: 10.1007/s00894-013-1790-3. Epub 2013 Feb 19.
Free radical scavenging by natural polyphenols: atom versus electron transfer.
Di Meo F, Lemaur V, Cornil J, Lazzaroni R, Duroux JL, Olivier Y, Trouillas P.
J Phys Chem A. 2013 Mar 14;117(10):2082-92. doi: 10.1021/jp3116319. Epub 2013 Mar 5.
From anti-GAD to ataxia with ocular motor apraxia type 2: through the looking glass.
Mariani LL, Degos B, Honnorat J, Trouillas P, Rabin M, Koenig M, Anheim M.
J Neurol. 2013 Apr;260(4):1158-9. doi: 10.1007/s00415-013-6840-3. Epub 2013 Jan 31. No abstract available.
Synthesis, characterisation and in vitro anticancer activity of hexanuclear thiolato-bridged arene ruthenium metalla-prisms.
Furrer MA, Garci A, Denoyelle-Di-Muro E, Trouillas P, Giannini F, Furrer J, Clavel CM, Dyson PJ, Süss-Fink G, Therrien B.
Chemistry. 2013 Feb 25;19(9):3198-203. doi: 10.1002/chem.201203712. Epub 2013 Jan 23.
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