Medicinal chemistry


Leoni L, Carletta A, Fusaro L, Dubois J, Tumanov NA, Aprile C, Wouters J, Dalla Cort A. A Simple and Efficient Mechanochemical Route for the Synthesis of Salophen Ligands and of the Corresponding Zn, Ni, and Pd Complexes. Molecules. 2019 Jun 22;24(12).

Haufroid M, Mirgaux M, Leherte L, Wouters J. Crystal structures and snapshots along the reaction pathway of human phosphoserine phosphatase. Acta Crystallogr D Struct Biol. 2019 Jun 1;75(Pt 6):592-604.

Haufroid M, Wouters J. Targeting the Serine Pathway: A Promising Approach against Tuberculosis? Pharmaceuticals (Basel). 2019 Apr 30;12(2).

Marx S, Bodart L, Tumanov N, Wouters J. Design and Synthesis of a New Soluble Natural β-Carboline Derivative for Preclinical Study by Intravenous Injection. Int J Mol Sci. 2019 Mar 25;20(6).

Spillier Q, Vertommen D, Ravez S, Marteau R, Thémans Q, Corbet C, Feron O, Wouters J, Frédérick R. Anti-alcohol abuse drug disulfiram inhibits human PHGDH via disruption of its active tetrameric form through a specific cysteine oxidation. Sci Rep. 2019 Mar 18;9(1):4737.

Angladon MA, Fossépré M, Leherte L, Vercauteren DP. Interaction of POPC, DPPC, and POPE with the μ opioid receptor: A coarse-grained molecular dynamics study. PLoS One. 2019 Mar 14;14(3):e0213646.

Marx S, Van Gysel M, Breuer A, Dal Maso T, Michiels C, Wouters J, Le Calvé B. Potentialization of anticancer agents by identification of new chemosensitizers active under hypoxia. Biochem Pharmacol. 2019 Apr;162:224-236.


Prevost J, Kozlova A, Es Saadi B, Yildiz E, Modaffari S, Lambert D, Pochet L, Wouters J, Dolušić E, Frédérick R. Convenient one-pot formation of highly functionalized 5-bromo-2-aminothiazoles, potential endocannabinoid hydrolase MAGL inhibitors. Tetrahedron Letters. 2018.

Ameryckx A, Thabault L, Pochet L, Leimanis S, Poupaert JH, Wouters J, Joris B, Van Bambeke F, Frédérick R. 1-(2-Hydroxybenzoyl)-thiosemicarbazides are promising antimicrobial agents targeting d-alanine-d-alanine ligase in bacterio. Eur J Med Chem. 2018 Nov 5;159:324-338.

Palazzo C, Laloy J, Delvigne AS, Nys G, Fillet M, Dogne JM, Pequeux C, Foidart JM, Evrard B, Piel G. Development of injectable liposomes and drug-in-cyclodextrin-in-liposome formulations encapsulating estetrol to prevent cerebral ischemia of premature babies. Eur J Pharm Sci. 2018 Oct 8.

Vatzaki E, Straus S, Dogne JM, Garcia Burgos J, Girard T, Martelletti P. Latest clinical recommendations on valproate use for migraine prophylaxis in women of childbearing age: overview from European Medicines Agency and European Headache Federation. J Headache Pain. 2018 Aug 14;19(1):68.

Farcaş E, Hanson J, Pochet L, Fillet M. Capillary electrophoretic mobility shift displacement assay for the assessment of weak drug-protein interactions. Anal Chim Acta. 2018 Nov 30;1034:214-222.

Farcaş E, Pochet L, Fillet M. Transverse diffusion of laminar flow profiles as a generic capillary electrophoresis method for in-line nanoreactor mixing: Application to the investigation of antithrombotic activity. Talanta. 2018 Oct 1;188:516-521.

Jaunet-Lahary T, Vercauteren DP, Fleury F, Laurent AD. Computational simulations determining disulfonic stilbene derivative bioavailability within human serum albumin. Phys Chem Chem Phys. 2018 Jul 4;20(26):18020-18030.

Drapier T, Geubelle P, Bouckaert C, Nielsen L, Laulumaa S, Goffin E, Dilly S, Francotte P, Hanson J, Pochet L, Kastrup JS, Pirotte B. Enhancing action of positive allosteric modulators through the design of dimeric compounds. J Med Chem. 2018 Jun 28;61(12):5279-5291.


Hinz T, Kallen K, Britten CM, Flamion B, Granzer U, Hoos A, Huber C, Khleif S, Kreiter S, Rammensee HG, Sahin U, Singh-Jasuja H, Türeci Ö, Kalinke U. The European Regulatory Environment of RNA-Based Vaccines. Methods Mol Biol. 2017;1499:203-222.

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.

Karim R, Palazzo C, Laloy J, Delvigne AS, Vanslambrouck S, Jerome C, Lepeltier E, Orange F, Dogne JM, Evrard B, Passirani C, Piel G. Development and Evaluation of Injectable Nanosized Drug Delivery Systems for Apigenin. Int J Pharm. 2017 Nov 5;532(2):757-768.

Leherte L, Vercauteren DP. Reduced Point Charge Models of Proteins: Effect of Protein-Water Interactions in Molecular Dynamics Simulations of Ubiquitin Systems. J Phys Chem B. 2017 Oct 26;121(42):9771-9784.

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 Sep 10;144:195-212.

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.

Frère A, Baroni A, Hendrick E, Delvigne AS, Orange F, Peulen O, Dakwar GR, Diricq J, Dubois P, Evrard B, Remaut K, Braeckmans K, De Smedt SC, Laloy J, Dogné JM, Feller G, Mespouille L, Mottet D, Piel G. PEGylated and Functionalized Aliphatic Polycarbonate Polyplex Nanoparticles for Intravenous Administration of  HDAC5 siRNA in Cancer Therapy. ACS Appl Mater Interfaces. 2017 Jan 25;9(3):2181-2195.


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.


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.


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.


Britten CM, Singh-Jasuja H, Flamion B, Hoos A, Huber C, Kallen KJ, Khleif SN, Kreiter S, Nielsen M, Rammensee HG, Sahin U, Hinz T, Kalinke U. The regulatory landscape for actively personalized cancer immunotherapies. Nature biotechnology 2013, 31:880-882.


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.


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