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Research Output

2002

Crystallographic, NMR and ab initio calculation studies of tautomerism among substituted dihydrothiazol-2-ylhydrazones

Wouters, J., Luque, F. J., Barretta, G. U., Balzano, F., Pignatello, R. & Guccione, S., 1 Jan 2002, In : Journal of the Chemical Society, Perkin Transactions 2. 5, p. 1012-1016 5 p.

Research output: Contribution to journalArticle

Exploration of the pharmacophore of 3-alkyl-5-arylimidazolidinediones as new CB1 cannabinoid receptor ligands and potential antagonists: Synthesis, lipophilicity, affinity, and molecular modeling

Ooms, F., Wouters, J., Oscari, O., Happaerts, T., Bouchard, G., Carrupt, P. A., Testa, B. & Lambert, D. M., 25 Apr 2002, In : Journal of Medicinal Chemistry. 45, 9, p. 1748-1756 9 p.

Research output: Contribution to journalArticle

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Polymorphism of N-stearoylethanolamine: Differential scanning calorimetric, vibrational spectroscopic (FTIR), and crystallographic studies

Wouters, J., Vandevoorde, S., Culot, C., Docquir, F. & Lambert, D. M., 1 Oct 2002, In : Chemistry and Physics of Lipids. 119, 1-2, p. 13-21 9 p.

Research output: Contribution to journalArticle

Structural approach of the mechanism of inhibition of α-chymotrypsin by coumarins

Wouters, J., Huygens, M., Pochet, L., Pirotte, B., Durant, F. & Masereel, B., 8 Apr 2002, In : Bioorganic and medicinal chemistry letters. 12, 7, p. 1109-1112 4 p.

Research output: Contribution to journalArticle

The endoxylanases from family 11: Computer analysis of protein sequences reveals important structural and phylogenetic relationships

Sapag, A., Wouters, J., Lambert, C., De Ioannes, P., Eyzaguirre, J. & Depiereux, E., 9 Mar 2002, In : Journal of Biotechnology. 95, 2, p. 109-131 23 p.

Research output: Contribution to journalArticle

2001

Crystallographic analysis of family 11 endo-β-l,4-xylanase Xyl1 from Streptomyces sp. S38

Wouters, J., Georis, J., Engher, D., Vandenhaute, J., Dusart, J., Frere, J. M., Depiereux, E. & Charlier, P., 31 Dec 2001, In : Acta Crystallographica Section D: Biological Crystallography. 57, 12, p. 1813-1819 7 p.

Research output: Contribution to journalArticle

La banque de données structurales de Cambridge, un trésor d'informations

Van Meervelt, L. & Wouters, J., 2001, In : Chimie nouvelle. 73, p. 3230-3233 4 p.

Research output: Contribution to journalArticle

Pharmacological evaluation of original sulfonylureas as thromboxane A2 antagonists

Dogné, J-M., de Leval, X., Neven, P., Somers, F., Delarge, J., Rolin, S., Michaux, C., Wouters, J., Pirotte, B., Damas, J. & Masereel, B., 2001, In : Fundamental and Clinical Pharmacology. 300

Research output: Contribution to journalLiterature review

Small molecule crystallography in drug design

Wouters, J. & Ooms, F., 21 May 2001, In : Current Pharmaceutical Design. 7, 7, p. 529-545 17 p.

Research output: Contribution to journalArticle

Substrate binding and catalytic mechanism of class B β-lactamases: A molecular modelling study

Prosperi-Meys, C., Wouters, J., Galleni, M. & Lamotte-Brasseur, J., 1 Dec 2001, In : Cellular and Molecular Life Sciences. 58, 14, p. 2136-2143 8 p.

Research output: Contribution to journalArticle

Synthesis and anticonvulsant activity of N,N-phthaloyl derivatives of central nervous system inhibitory amino acids

Usifoh, C. O., Lambert, D. M., Wouters, J. & Scriba, G. K. E., 3 Dec 2001, In : Archiv der Pharmazie. 334, 10, p. 323-331 9 p.

Research output: Contribution to journalArticle

Towards new leads for selective cyclooxygenase-2 (COX-2) inhibition

Michaux, C., Rolin, S., de Leval, X., Masereel, B., Durant, F. & Wouters, J., 2001, Abstract Book-XVèmes Journées Franco-Belges de Pharmacochimie. Universitaires, P. & Namur, D. (eds.). p. 84

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

2000

7-Nitroindazole

Ooms, F., Norberg, B., Isin, E., Castagnoli, N., Van der Schyf, C. & Wouters, J., 2000, In : Acta crystallographica. Section C: Crystal structure communications. 56

Research output: Contribution to journalArticle

Coumarinic derivatives as mechanism-based inhibitors of α-chymotrypsin and human leukocyte elastase

Pochet, L., Doucet, C., Dive, G., Wouters, J., Masereel, B., Reboud-Ravaux, M. & Pirotte, B., 1 Jun 2000, In : Bioorganic and Medicinal Chemistry. 8, 6, p. 1489-1501 13 p.

Research output: Contribution to journalArticle

Empirical and molecular modeling study of the pyridinium species RHPP+, an abundant and potentially neurotoxic metabolite of haloperidol

Ooms, F., Delvosal, S., Wouters, J., Durant, F., Dockendolf, G., Van't Land, C., Glass, T., Castagnoli, N. & Van Der Schyf, C. J., 1 Sep 2000, In : Journal of the Chemical Society. Perkin Transactions 2. 9, p. 1781-1787 7 p.

Research output: Contribution to journalArticle

Molecular interaction between reversible MAO-A inhibitors and the enzyme: Application to aryloxazolidinone, a prototype series

Ooms, F., Jegham, S., George, P., Durant, F. & Wouters, J., 26 Sep 2000, In : Neurobiology. 8, 1, p. 81-98 18 p.

Research output: Contribution to journalArticle

Pharmacological evaluation of original sulfonylureas as thromboxane A2 antagonists

Dogné, J-M., de Leval, X., Neven, P., Somers, F., Delarge, J., Rolin, S., Michaux, C., Wouters, J., Pirotte, B., Damas, J. & Masereel, B., 2000, In : Fundamental and Clinical Pharmacology. 14, p. 300

Research output: Contribution to journalLiterature review

Pharmacomodulation studies of torasemide leading to original non- carboxylic thromboxane A receptor antagonists

Dogné, J. M., De Leval, X., Neven, P., Rolin, S., Wouters, J., Delarge, J. & Masereel, B., 1 Feb 2000, In : Pharmacy and pharmacology communications. 6, 2, p. 77-82 6 p.

Research output: Contribution to journalArticle

Purification, cloning, and three-dimensional structure prediction of Micrococcus luteus FAD-containing tyramine oxidase

Roh, J. H., Wouters, J., Depiereux, E., Yukawa, H., Inui, M., Minami, H., Suzuki, H. & Kumagai, H., 16 Feb 2000, In : Biochemical and Biophysical Research Communications. 268, 2, p. 293-297 5 p.

Research output: Contribution to journalArticle

Structural analysis of pyrrolidinones

Camus, F., Norberg, B., Legrand, A., Rigo, B., Durant, F. & Wouters, J., 1 Feb 2000, In : Acta crystallographica Section C: Crystal Structure communications. 56, 2, p. 193-196 4 p.

Research output: Contribution to journalArticle

Structural approach of human MAO-A using fold recognition (threading) techniques

Wouters, J., Depiereux, E. & Durant, F., 26 Sep 2000, In : Neurobiology. 8, 1, p. 119-128 10 p.

Research output: Contribution to journalArticle

Use of Theoretical Descriptors to Characterize Cation-π Binding Sites in (Macro)molecules

Wouters, J., 30 Jul 2000, In : Journal of Computational Chemistry. 21, 10, p. 847-855 9 p.

Research output: Contribution to journalArticle

1999

5-substituted pyrimidine 1,5-anhydrohexitols: Conformational analysis and interaction with viral thymidine kinase

Wouters, J. & Herdewijn, P., 7 Jun 1999, In : Bioorganic & Medicinal Chemistry Letters. 9, 11, p. 1563-1566 4 p.

Research output: Contribution to journalArticle

Antagonism of the TXA2 receptor by seratrodast: A structural approach

Wouters, J., Durant, F. & Masereel, B., 4 Oct 1999, In : Bioorganic & Medicinal Chemistry Letters. 9, 19, p. 2867-2870 4 p.

Research output: Contribution to journalArticle

A reversible monoamine oxidase a inhibitor, befloxatone: Structural approach of its mechanism of action

Wouters, J., Moureau, F., Evrard, G., Koenig, J. J., Jegham, S., George, P. & Durant, F., 1 Aug 1999, In : Bioorganic and Medicinal Chemistry. 7, 8, p. 1683-1693 11 p.

Research output: Contribution to journalArticle

Lys13 plays a crucial role in the functional adaptation of the thermophilic triose-phosphate isomerase from Bacillus stearothermophilus to high temperatures

Alvarez, M., Wouters, J., Maes, D., Mainfroid, V., Rentier-Delrue, F., Wyns, L., Depiereux, E. & Martial, J. A., 2 Jul 1999, In : Journal of Biological Chemistry. 274, 27, p. 19181-19187 7 p.

Research output: Contribution to journalArticle

Preference of Cd(II) and Zn(II) for the two metal sites in Bacillus cereus β-lactamase II: A perturbed angular correlation of γ-rays spectroscopic study

Paul-Soto, R., Zeppezauer, M., Adolph, H. W., Galleni, M., Frere, J. M., Carfi, A., Dideberg, O., Wouters, J., Hemmingsen, L. & Bauer, R., 14 Dec 1999, In : Biochemistry. 38, 50, p. 16500-16506 7 p.

Research output: Contribution to journalArticle

Structure and function prediction of the Brucella abortus P39 protein by comparative modeling with marginal sequence similarities

De Fays, K., Tibor, A., Lambert, C., Vinals, C., Denoël, P., De Bolle, X., Wouters, J., Letesson, J. J. & Depiereux, E., 15 Apr 1999, In : Protein Engineering. 12, 3, p. 217-223 7 p.

Research output: Contribution to journalArticle

1998

cis-4,6-dimethyl -2-phenyl-1,3-diselenane

Baudoux, G., Norberg, B., Wouters, J., Defrère, L., Krief, A. & Evrard, G., 15 Oct 1998, In : Acta crystallographica Section C: Crystal Structure communications. 54, 10, p. 1505-1507 3 p.

Research output: Contribution to journalArticle

Design, synthesis, and anticonvulsant activity of 1-(pyrid-3- ylsulfonamido)-2-nitroethylenes

Masereel, B., Wouters, J., Pochet, L. & Lambert, D., 13 Aug 1998, In : Journal of Medicinal Chemistry. 41, 17, p. 3239-3244 6 p.

Research output: Contribution to journalArticle

Étude des propriétés stéréoélectroniques de composés triaziniques en vue d'établir une relation structure-lipophilie

Longfils, G., Wouters, J., Marlier, C., Goldstein, S., Neuwels, M., Vankeulen, J., Evrard, G. & Durant, F., 1 Dec 1998, In : Journal de Pharmacie de Belgique. 53, 2, 1 p.

Research output: Contribution to journalArticle

First partial three-dimensional model of human monoamine oxidase A

Wouters, J. & Baudoux, G., 1 Jul 1998, In : Proteins: Structure, Function and Genetics. 32, 1, p. 97-110 14 p.

Research output: Contribution to journalArticle

Mutagenesis of the fructose-6-phosphate-binding site in the 2-kinase domain of 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase

Bertrand, L., Vertommen, D., Freeman, P. M., Wouters, J., Depiereux, E., Di Pietro, A., Hue, L. & Rider, M. H., 15 Jun 1998, In : European Journal of Biochemistry . 254, 3, p. 490-496 7 p.

Research output: Contribution to journalArticle

Structural aspects of monoamine oxidase and its reversible inhibition

Wouters, J., 5 May 1998, In : Current Medicinal Chemistry. 5, 2, p. 137-162 26 p.

Research output: Contribution to journalArticle

1997

2-oxazolidinone

Wouters, J., Ooms, F. & Durant, F., 15 Jul 1997, In : Acta crystallographica Section C: Crystal Structure communications. 53, 7, p. 895-897 3 p.

Research output: Contribution to journalArticle

Conformational distribution of the potentially neurotoxic metabolite of haloperidol, HPP+, by NMR spectroscopy, X-ray crystallography and molecular dynamics simulations

Ooms, F., Wouters, J., Durant, F., Castagnoli, N., Van't Land, C., Dockendolf, G., Glass, T. & Van Der Schyf, C. J., 1 Dec 1997, In : Journal of the Chemical Society. Perkin Transactions 2. 12, p. 2627-2632 6 p.

Research output: Contribution to journalArticle