Medicinal chemistry & pharmacology

2017

Frédérick R, Pochet L, De Tullio P, Dufrasne F. 31ièmes Journées Franco-Belges de Pharmacochimie: Meeting Report. Pharmaceuticals (Basel). 2017 Dec 4;10(4).

Nitelet A, Wouters J, Dewez DF, Evano G. Copper-Catalyzed Alkenylation of Cyanamides. Org Lett. 2017 Nov 14.

Maignen F, Hauben M, Dogné JM. A mathematical framework to quantify the masking effect associated with the confidence intervals of measures of disproportionality. Ther Adv Drug Saf. 2017 Jul;8(7):231-244.

Farcaş E, Bouckaert C, Servais AC, Hanson J, Pochet L, Fillet M. Partial filling affinity capillary electrophoresis as a useful tool for fragment-based drug discovery: A proof of concept on thrombin. Anal Chim Acta. 2017 Sep 1;984:211-222.

Rondelet G, Fleury L, Faux C, Masson V, Dubois J, Arimondo PB, Willems L, Wouters J. Inhibition studies of DNA methyltransferases by maleimide derivatives of RG108 as non-nucleoside inhibitors. Future Med Chem. 2017 Sep;9(13):1465-1481.

Bouckaert C, Zhu S, Govers-Riemslag JWP, Depoorter M, Diamond SL, Pochet L. Discovery and assessment of water soluble coumarins as inhibitors of the coagulation contact pathway. Thromb Res. 2017 Jul 19;157:126-133.

Balti M, Plas A, Meinguet C, Haufroid M, Thémans Q, Efrit ML, Wouters J, Lanners S. Synthesis of 4- and 5-arylthiazolinethiones as inhibitors of indoleamine 2,3-dioxygenase. Bioorg Med Chem Lett. 2016 Jun 18.

Rondelet G, Wouters J. Human DNA (cytosine-5)-methyltransferases: A functional and structural perspective for epigenetic cancer therapy. Biochimie. 2017 Aug;139:137-147.

Farcaş E, Pochet L, Crommen J, Servais AC, Fillet M. Capillary electrophoresis in the context of drug discovery. J Pharm Biomed Anal. 2017 Feb 21.

Harmsen B, Robeyns K, Wouters J, Leyssens T. A study of Fasoracetam's solid state forms: A potential anti-Alzheimer pharmaceutical. J Pharm Sci. 2017 May;106(5):1317-1321.

2016

Fossépré M, Leherte L, Laaksonen A, Vercauteren DP. Multiscale design of coarse-grained elastic network-based potentials for the μ opioid receptor. J Mol Model. 2016 Sep;22(9):227.

Leherte, L. Reduced point charge models of proteins: Assessment based on molecular dynamics simulations (2016) Molecular Simulation, 42 (4), pp. 289-304.

Hanquet G, Salom-Roig X, Lanners S. New Insights into the Synthesis and Biological Activity of the Pamamycin Macrodiolides. Chimia (Aarau). 2016;70(1):20-8.

Bouckaert C, Serra S, Rondelet G, Dolušić E, Wouters J, Dogné JM, Frédérick R, Pochet L. Synthesis, evaluation and structure-activity relationship of new 3-carboxamide coumarins as FXIIa inhibitors. Eur J Med Chem. 2016 Jan 16;110:181-194.

Farcas E, Servais AC, Lamalle C, Chiap P, Pochet L, Fillet M. Fully automated electrophoretically mediated microanalysis for CYP1A1 activity monitoring optimized by multivariate approach. Electrophoresis. 2016 Jan;37(2):248-55.

2015

The Members of the Organizing Committee. 29ièmes Journées Franco-Belges de Pharmacochimie: Meeting Report. Pharmaceuticals (Basel). 2015 Nov 17;8(4):758-777.

Carletta A, Tilborg A, Moineaux L, de Ruyck J, Basile L, Salerno L, Romeo G, Wouters J, Guccione S. How does binding of imidazole-based inhibitors to heme oxygenase-1 influence their conformation? Insights combining crystal structures and molecular modelling. Acta Crystallogr B Struct Sci Cryst Eng Mater. 2015 Aug 1;71(Pt 4):447-54.

Meinguet C, Masereel B, Wouters J. Preparation and characterization of a new harmine-based antiproliferative compound in complex with cyclodextrin: Increasing solubility while maintaining biological activity. Eur J Pharm Sci. 2015 Sep 18;77:135-40.

Meinguet C, Bruyère C, Frédérick R, Mathieu V, Vancraeynest C, Pochet L, Laloy J, Mortier J, Wolber G, Kiss R, Masereel B, Wouters J. 3D-QSAR, design, synthesis and characterization of trisubstituted harmine derivatives with in vitro antiproliferative properties. Eur J Med Chem. 2015 Apr 13;94:45-55.

Naoîmé, A., Laaksonen, A., Vercauteren, D.P. A Coarse-Grained Simulation Study of the Structures, Energetics, and Dynamics of Linear and Circular DNA with Its Ions (2015) Journal of Chemical Theory and Computation, 11 (6), pp. 2813-2826.

2014

Fossépré M, Leherte L, Laaksonen A, Vercauteren DP. On the modularity of the intrinsic flexibility of the µ opioid receptor: a computational study. PLoS One. 2014 Dec 30;9(12):e115856.

Serra S, Moineaux L, Vancraeynest C, Masereel B, Wouters J, Pochet L, Frederick R Thiosemicarbazide, a fragment with promising indolamine-2,3-dioxygenase (IDO) inhibition properties. European journal of medicinal chemistry 2014, 82:96-105.

Maignen F, Hauben M, Hung E, Holle LV, Dogne JM. A conceptual approach to the masking effect of measures of disproportionality. Pharmacoepidemiol Drug Saf. 2014 Feb;23(2):208-17.

Maignen F, Hauben M, Hung E, Van Holle L, Dogne JM. Assessing the extent and impact of the masking effect of disproportionality analyses on two spontaneous reporting systems databases. Pharmacoepidemiol Drug Saf. 2014 Feb;23(2):195-207.

2012

Frederick R, Bruyere C, Vancraeynest C, Reniers J, Meinguet C, Pochet L, Backlund A, Masereel B, Kiss R, Wouters J Novel trisubstituted harmine derivatives with original in vitro anticancer activity Journal of medicinal chemistry 2012, 55:6489-6501.

Moineaux L, Laurent S, Reniers J, Dolusic E, Galleni M, Frere JM, Masereel B, Frederick R, Wouters J Synthesis, crystal structures and electronic properties of isomers of chloro-pyridinylvinyl-1H-indoles European journal of medicinal chemistry 2012, 54:95-102.

Pilotte L, Larrieu P, Stroobant V, Colau D, Dolusic E, Frédérick R, De Plaen E, Uyttenhove C, Wouters J, Masereel B, Van den Eynde BJ. Reversal of tumoral immune resistance by inhibition of tryptophan 2,3-dioxygenase Proceedings of the National Academy of Sciences of the United States of America 2012, 109:2497-2502.

2011

J. Reniers, C. Meinguet, L. Moineaux, B. Masereel, S.P. Vincent, R. Frederick, J. Wouters. Synthesis and inhibition study of monoamine oxidase, indoleamine 2,3-dioxygenase and tryptophan 2,3-dioxygenase by 3,8-substituted 5H-indeno[1,2-c]pyridazin-5-one derivatives. European Journal of Medicinal Chemistry, Volume 46, Issue 12, December 2011, Pages 6104-6111.

Eduard Dolusic, Pierre Larrieu, Laurence Moineaux, Vincent Stroobant, Luc Pilotte, Didier Colau, Lionel Pochet, Benoît Van den Eynde, Bernard Masereel, Johan Wouters, and Raphaël Frédérick. Tryptophan 2,3-Dioxygenase (TDO) Inhibitors. 3-(2-(Pyridyl)ethenyl)indoles as Potential Anticancer Immunomodulators. J. Med. Chem., 2011, 54 (15), pp 5320–5334