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Research Output

2009

Conformation-controlled networking of H-bonded assemblies on surfaces

Matena, M., Llanes-Pallas, A., Enache, M., Jung, T., Wouters, J., Champagne, B., Stöhr, M. & Bonifazi, D., 22 Jul 2009, In : Chemical Communications. 24, p. 3525-3527 3 p.

Research output: Contribution to journalArticle

Electronic transitions of neutral and anionic quinolinone HIV-1 integrase inhibitor: Joint theory/experiment investigation

Vandurm, P., Cauvin, C., Wouters, J., Perpète, E. A. & Jacquemin, D., 27 Aug 2009, In : Chemical Physics Letters. 478, 4-6, p. 243-248 6 p.

Research output: Contribution to journalArticle

Ligand-based and structure-based virtual screening to identify carbonic anhydrase IX inhibitors

Thiry, A., Ledecq, M., Cecchi, A., Frederick, R., Dogné, J. M., Supuran, C. T., Wouters, J. & Masereel, B., 15 Jan 2009, In : Bioorganic and Medicinal Chemistry. 17, 2, p. 553-557 5 p.

Research output: Contribution to journalArticle

Physicochemical properties of European bakery margarines with and without trans fatty acids

Cavillot, V., Pierart, C., De Meerendré, M. K., Vincent, M., Paquot, M., Wouters, J., Deroanne, C. & Danthine, S., 1 Aug 2009, In : Journal of food lipids. 16, 3, p. 273-286 14 p.

Research output: Contribution to journalArticle

Structural and theoretical studies of [6-bromo-1-(4-fluorophenylmethyl)-4(1H)-quinolinon-3-yl)]-4-hydroxy-2-oxo-3-butenoïc acid as HIV-1 integrase inhibitor

Vandurm, P., Cauvin, C., Guiguen, A., Georges, B., Van, K. L., Martinelli, V., Cardona, C., Mbemba, G., Mouscadet, J. F., Hevesi, L., Lint, C. V. & Wouters, J., 15 Aug 2009, In : Bioorganic & Medicinal Chemistry Letters. 19, 16, p. 4806-4809 4 p.

Research output: Contribution to journalArticle

Structure and X-ray conformation of pseudodesmins A and B, two new cyclic lipodepsipeptides from Pseudomonas bacteria

Sinnaeve, D., Michaux, C., Van hemel, J., Vandenkerckhove, J., Peys, E., Borremans, F. A. M., Sas, B., Wouters, J. & Martins, J. C., 23 May 2009, In : Tetrahedron. 65, 21, p. 4173-4181 9 p.

Research output: Contribution to journalArticle

Synthesis and biological evaluation of a new family of anti-benzylanilinosulfonamides as CA IX inhibitors

Thiry, A., Delayen, A., Goossens, L., Houssin, R., Ledecq, M., Frankart, A., Dogné, J-M., Wouters, J., Supuran, C. T., Hénichart, J-P. & Masereel, B., 1 Feb 2009, In : European Journal of Medicinal Chemistry. 44, 2, p. 511-8 8 p.

Research output: Contribution to journalArticle

Synthesis and catalytic evaluation of ruthenium-arene complexes generated using imidazol(in)ium-2-carboxylates and dithiocarboxylates

Delaude, L., Sauvage, X., Demonceau, A. & Wouters, J., 27 Jul 2009, In : Organometallics. 28, 14, p. 4056-4064 9 p.

Research output: Contribution to journalArticle

Xylanase XYL1p from Scytalidium acidophilum: Site-directed mutagenesis and acidophilic adaptation

Balaa, B. A., Brijs, K., Gebruers, K., Vandenhaute, J., Wouters, J. & Housen, I., 1 Dec 2009, In : Bioresource technology. 100, 24, p. 6465-6471 7 p.

Research output: Contribution to journalArticle

2008

A MBP-FAAH fusion protein as a tool to produce human and rat fatty acid amide hydrolase: Expression and pharmacological comparison

Labar, G., Vliet, F. V., Wouters, J. & Lambert, D. M., 1 Jan 2008, In : Amino acids. 34, 1, p. 127-133 7 p.

Research output: Contribution to journalArticle

Application of the boron neutron capture therapy to the carbonic anhydrase IX

Deglim, J., Thiry, A., Wouters, J. & Masereel, B., 2008, Abstract book - XIII International Conference on Boron Chemistry.

Research output: Contribution in Book/Catalog/Report/Conference proceedingConference contribution

A Single E141A mutation in the xylanase XYL1p from Scytalidium acidophilum improves its activity at pH 4.0

Al Balaa, B., BRIJS, K., Gebruers, K., Vandenhaute, J., Wouters, J. & Housen, I., 2008, (Unpublished)

Research output: Other contribution

Bis-tetrahydroisoquinoline derivatives: AG525E1, a new step in the search for non-quaternary non-peptidic small conductance Ca2+-activated K+ channel blockers

Graulich, A., Lamy, C., Alleva, L., Dilly, S., Chavatte, P., Wouters, J., Seutin, V. & Liégeois, J. F., 1 Jun 2008, In : Bioorganic & Medicinal Chemistry Letters. 18, 11, p. 3440-3445 6 p.

Research output: Contribution to journalArticle

Crystal structure of a cold-adapted class C β-lactamase

Michaux, C., Massant, J., Kerff, F., Frère, J. M., Docquier, J. D., Vandenberghe, I., Samyn, B., Pierrard, A., Feller, G., Charlier, P., Van Beeumen, J. & Wouters, J., 1 Apr 2008, In : FEBS Journal. 275, 8, p. 1687-1697 11 p.

Research output: Contribution to journalArticle

Crystal structure of type 2 isopentenyl diphosphate isomerase from Thermus thermophilus in complex with inorganic pyrophosphate

De Ruyck, J., Pouyez, J., Rothman, S. C., Poulter, D. & Wouters, J., 2 Sep 2008, In : Biochemistry. 47, 35, p. 9051-9053 3 p.

Research output: Contribution to journalArticle

Estimation of sucrose crystallization kinetics from batch crystallizer data

Ouiazzane, S., Messnaoui, B., Abderafi, S., Wouters, J. & Bounahmidi, T., 15 Feb 2008, In : Journal of Crystal Growth. 310, 4, p. 798-803 6 p.

Research output: Contribution to journalArticle

Indanesulfonamides as carbonic anhydrase inhibitors and anticonvulsant agents: Structure-activity relationship and pharmacological evaluation

Thiry, A., Rolin, S., Vullo, D., Frankart, A., Scozzafava, A., Dogne, J-M., Wouters, J., Supuran, C. T. & Masereel, B., 1 Dec 2008, In : European Journal of Medicinal Chemistry. 43, 12, p. 2853-2860 8 p.

Research output: Contribution to journalArticle

La communication pédagogique dans les exposés de chimie à l'université: Impact sur l'apprentissage des étudiants

Houart, M., Warzée, N., Wouters, J., Reniers, F. & Romainville, M., 2008, (Unpublished) Actes du 25e congrès de l'Association Internationale de Pédagogie Universitaire (AIPU) Montpellier, France (19-22 mai 2008).

Research output: Contribution in Book/Catalog/Report/Conference proceedingConference contribution

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Microhydration of protonated glycine: An ab initio family tree

Michaux, C., Wouters, J., Perpète, E. A. & Jacquemin, D., 28 Feb 2008, In : Journal of physical chemistry B. 112, 8, p. 2430-2438 9 p.

Research output: Contribution to journalArticle

Modeling of sucrose crystallization kinetics: The influence of glucose and fructose

Ouiazzane, S., Messnaoui, B., Abderafi, S., Wouters, J. & Bounahmidi, T., 15 Jul 2008, In : Journal of Crystal Growth. 310, 15, p. 3498-3503 6 p.

Research output: Contribution to journalArticle

Modeling the microhydration of protonated alanine

Michaux, C., Wouters, J., Perpète, E. A. & Jacquemin, D., 14 Aug 2008, In : Journal of physical chemistry B. 112, 32, p. 9896-9902 7 p.

Research output: Contribution to journalArticle

Models for FFA-removal and changes in phase behavior of cocoa butter by packed column steam refining

Calliauw, G., Ayala, J. V., Gibon, V., Wouters, J., Greyt, W. D., Foubert, I. & Dewettinck, K., 1 Dec 2008, In : Journal of Food Engineering. 89, 3, p. 274-284 11 p.

Research output: Contribution to journalArticle

Monoclinic form of isopentenyl diphosphate isomerase: A case of polymorphism in biomolecular crystals

De Ruyck, J., Oudjama, Y. & Wouters, J., 29 Mar 2008, In : Acta Crystallographica Section F. 64, 4, p. 239-242 4 p.

Research output: Contribution to journalArticle

New R/S-3,4-dihydro-2,2-dimethyl-6-halo-4-(phenylaminothiocarbonylamino)-2H- 1-benzopyrans structurally related to (±)-cromakalim as tissue-selective pancreatic β-cell KATP channel openers

Sebille, S., de Tullio, P., Florence, X., Becker, B., Antoine, M. H., Michaux, C., Wouters, J., Pirotte, B. & Lebrun, P., 15 May 2008, In : Bioorganic and Medicinal Chemistry. 16, 10, p. 5704-5719 16 p.

Research output: Contribution to journalArticle

Overexpression, physicochemical characterization, and modeling of a hyperthermophilic Pyrococcus furiosus type 2 IPP isomerase

Dutoit, R., De Ruyck, J., Durisotti, V., Legrain, C., Jacobs, E. & Wouters, J., 1 Jun 2008, In : Proteins: Structure, Function and Genetics. 71, 4, p. 1699-1707 9 p.

Research output: Contribution to journalArticle

Protecting role of cosolvents in protein denaturation by SDS: A structural study

Michaux, C., Pouyez, J., Wouters, J. & Privé, G. G., 23 Jun 2008, In : BMC structural biology. 8, 29.

Research output: Contribution to journalArticle

Species distribution and coordination of uranyl chloro complexes in acetonitrile

Hennig, C., Servaes, K., Nockemann, P., Van Hecke, K., Van Meervelt, L., Wouters, J., Fluyt, L., Görller-Walrand, C. & Van Deun, R., 21 Apr 2008, In : Inorganic Chemistry. 47, 8, p. 2987-2993 7 p.

Research output: Contribution to journalArticle

Stepwise hydration of protonated proline

Michaux, C., Wouters, J., Perpète, E. A. & Jacquemin, D., 3 Jul 2008, In : Journal of physical chemistry B. 112, 26, p. 7702-7705 4 p.

Research output: Contribution to journalArticle

The crystal structure of sursassite from the Lienne Valley, Stavelot Massif, Belgium

Hatert, F., Fransolet, A. M., Wouters, J. & Bernhardt, H. J., 1 Sep 2008, In : European Journal of Mineralogy. 20, 5, p. 993-998 6 p.

Research output: Contribution to journalArticle

2007

(±)-2-Benzoyl-8-ethyl-1,2-dihydroisoquinoline-1-carbonitrile: An original Reissert compound

Graulich, A., Norberg, B., Liégeois, J. F. & Wouters, J., 6 Jun 2007, In : Acta Crystallographica Section E. 63, 7

Research output: Contribution to journalArticle

Application of the boron neutron capture therapy to the carbonic anhydrases

Deglim, J., Thiry, A., Wouters, J. & Masereel, B., 2007, Abstract Book-13th Belgian Forum of Pharmaceutical Sciences.

Research output: Contribution in Book/Catalog/Report/Conference proceedingConference contribution

A theoretical investigation of the hydrated glycine cation energetics and structures

Michaux, C., Wouters, J., Jacquemin, D. & Perpète, E. A., 4 Sep 2007, In : Chemical Physics Letters. 445, 1-3, p. 57-61 5 p.

Research output: Contribution to journalArticle

Carbonic anhydrase inhibitors: synthesis, biological evaluation and rational drug design to target the tumor-associated CA IX

Thiry, A., Ledecq, M., Dogné, J-M., SUPURAN, C. T., Wouters, J. & Masereel, B., 2007, Abstract Book-13th Belgian Forum of Pharmaceutical Sciences.

Research output: Contribution in Book/Catalog/Report/Conference proceedingConference contribution

Crystal structures of class C β-lactamases: mechanistic implications and perspectives in drug design

Bauvois, C. & Wouters, J., 2007, Enzyme-mediated resistance to antibiotics : mechanisms, dissemination, and prospects for inhibition. Robert, E., Bonomo, A. & Tolmasky, M. (eds.). Washington: ASM Press, p. 145-161 17 p.

Research output: Contribution in Book/Catalog/Report/Conference proceedingChapter

Disulfiram is an inhibitor of human purified monoacylglycerol lipase, the enzyme regulating 2-arachidonoylglycerol signaling

Labar, G., Bauvois, C., Muccioli, G. G., Wouters, J. & Lambert, D. M., 23 Jul 2007, In : ChemBioChem. 8, 11, p. 1293-1297 5 p.

Research output: Contribution to journalArticle

Expedient, direct synthesis of (L)Pt(0)(1,6-diene) complexes from H 2PtCl6

Berthon-Gelloz, G., Schumers, J. M., Lucaccioni, F., Tinant, B., Wouters, J. & Markó, I. E., 5 Nov 2007, In : Organometallics. 26, 23, p. 5731-5734 4 p.

Research output: Contribution to journalArticle

Exploration of the binding mode of indanesulfonamides as selective inhibitors of human carbonic anhydrase type VII by targeting Lys91

Thiry, A., Masereel, B., Dogne, J-M., Supuran, C. T., Wouters, J. & Michaux, C., 10 Sep 2007, In : ChemMedChem. 2, 9, p. 1273-1280 8 p.

Research output: Contribution to journalArticle

Secondary nucleation study of sucrose crystallization: Experiments and modelling

Ouiazzane, S., Messnaoui, B., Wouters, J. & Bounahmidi, T., 1 Jan 2007, p. 467-473. 7 p.

Research output: Contribution to conferencePaper

Towards new leads for selective carbonic anhydrase IX inhibition: synthesis, pharmacological evaluation and combined ligand-based and target-based approach

Thiry, A., Ledecq, M., Dogné, J-M., SUPURAB, C. T., Wouters, J. & Masereel, B., 2007, Abstract Book-New Drugs and Drug Candidates : Recent Achievements in Medicinal Chemistry.

Research output: Contribution in Book/Catalog/Report/Conference proceedingConference contribution

Towards the understanding of the absorption spectra of NAD(P)H/NAD(P)+ as a common indicator of dehydrogenase enzymatic activity

De Ruyck, J., Famerée, M., Wouters, J., Perpète, E. A., Preat, J. & Jacquemin, D., 14 Dec 2007, In : Chemical Physics Letters. 450, 1-3, p. 119-122 4 p.

Research output: Contribution to journalArticle

2006

2,6-Dihydroxyanthraquinone: An isomer of the well known alizarin dye

De Ruyck, J., Preat, J., Perpète, E. A., Jacquemin, D. & Wouters, J., 1 Oct 2006, In : Acta Crystallographica Section E. 62, 10

Research output: Contribution to journalArticle

Benefits and limits of in Silico predictions

Wouters, J., 2006, Virtual ADMET assessment in target selection and maturation. Testa, B. & Turski, L. (eds.). Amsterdam: IOS Press, Vol. 6. p. 15-28 14 p.

Research output: Contribution in Book/Catalog/Report/Conference proceedingChapter

Binding mode of new (thio)hydantoin inhibitors of fatty acid amide hydrolase: Comparison with two original compounds, OL-92 and JP104

Michaux, C., Muccioli, G. G., Lambert, D. M. & Wouters, J., 15 Sep 2006, In : Bioorganic & Medicinal Chemistry Letters. 16, 18, p. 4772-4776 5 p.

Research output: Contribution to journalArticle