Publications


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Smits RA, Adami M, Istyastono EP, Zuiderveld OP, van Dam CM, de Kanter FJ, Jongejan A, Coruzzi G, Leurs R, de Esch IJ
Synthesis and QSAR of quinazoline sulfonamides as highly potent human histamine H4 receptor inverse agonists
J Med Chem, (2010) 53 pp.:2390-2400
Pubmed


Ulens C, Akdemir A, Jongejan A, van Elk R, Bertrand S, Perrakis A, Leurs R, Smit AB, Sixma TK, Bertrand D, de Esch IJ
Use of acetylcholine binding protein in the search for novel alpha7 nicotinic receptor ligands. In silico docking, pharmacological screening, and X-ray analysis
J Med Chem, (2009) 52 pp.:2372-2238
Pubmed

Lim HD, Istyastono EP, van de Stolpe A, Romeo G, Gobbi S, Schepers M, Lahaye R, Menge WM, Zuiderveld OP, Jongejan A, Smits RA, Bakker RA, Haaksma EE, Leurs R, de Esch IJ
Clobenpropit analogs as dual activity ligands for the histamine H3 and H4 receptors: synthesis, pharmacological evaluation, and cross-target QSAR studies
Bioorg Med Chem, (2009) 17 pp.:3987-3994 Pubmed


Lim HD, Jongejan A, Bakker RA, Haaksma E, de Esch IJ, Leurs R
Phenylalanine 169 in the second extracellular loop of the human histamine H4 receptor is responsible for the difference in agonist binding between human and mouse H4 receptors
J Pharmacol Exp Ther, (2008) 327 pp.:88-96
Pubmed

Jongejan A, Lim HD, Smits RA, de Esch IJ, Haaksma E, Leurs R
Delineation of Agonist Binding to the Human Histamine H4 Receptor Using Mutational Analysis, Homology Modeling, and ab Initio Calculations
J Chem Inf Model,(2008) 48 pp.:1455-1463 Pubmed

Bakker RA, Jongejan A, Sansuk K, Hacksell U, Timmerman H, Brann MR, Weiner DM, Pardo L, Leurs R
Constitutively active mutants of the histamine H1 receptor suggest a conserved hydrophobic asparagine-cage that constrains the activation of class A G protein-coupled receptors
Mol Pharmacol, (2008) 73 pp.:94-103 Pubmed


Hulsman N, Medema JP, Bos C, Jongejan A, Leurs R, Smit MJ, de Esch IJ, Richel D, Wijtmans M
Chemical insights in the concept of hybrid drugs: the antitumor effect of nitric oxide-donating aspirin involves a quinone methide but not nitric oxide nor aspirin
J Med Chem, (2007) 50 pp.:2424-2431
Pubmed

Smit MJ, Vischer HF, Bakker RA, Jongejan A, Timmerman H, Pardo L, Leurs R
Pharmacogenomic and Structural Analysis of Constitutive G Protein-Coupled Receptor Activity
Annu Rev Pharmacol Toxicol, (2007) 47 pp.:53-87 Pubmed


Verzijl D, Pardo L, van Dijk M, Gruijthuijsen YK, Jongejan A, Timmerman H, J Nicholas, Schwarz M, Murphy PM, Leurs R, Smit MJ
Helix 8 of the viral chemokine receptor ORF74 directs chemokine binding
J Biol Chem, (2006) 281 pp.:35327-35335
Pubmed

Zhou Y, Oostenbrink C, Jongejan A, van Gunsteren WF, Hagen WR, de Leeuw SW, Jongejan JA
Computational study of ground state chiral induction in small peptides: Comparison of the relative stability of selected amino acid dimers and oligomers in homochiral and heterochiral combinations
J Comp Chem, (2006) 27 pp.:857-867 Pubmed

de Graaf C, Oostenbrink C, Keizers PHJ, van der Wijst T, Jongejan A, Vermeulen NPE
Catalytic site prediction and virtual screening of Cytochrome P450 2D6 substrates by consideration of water and rescoring in automated docking
J Med Chem, (2006) 49 pp.:2417-2430 Pubmed


de Esch IJ, Thurmond RL, Jongejan A, Leurs R
The histamine H4 receptor as a new therapeutic target for inflammation.
TIPS,(2005) 26 pp.: 462-469
Pubmed

Bruysters M, Jongejan A, Akdemir A, Bakker RA, Leurs R
A Gq/11-coupled mutant histamine H1 receptor F435A activated solely by synthetic ligands (RASSL).
J Biol Chem,(2005) 280pp:. 34741-34746 Pubmed

Jongejan A, de Graaf G, Vermeulen NPE, Leurs R, de Esch IJP
The Role and Application of In Silico Docking in Chemical Genomics Research
Methods Mol Biol,(2005) 310pp.:63-91 Pubmed

Jongejan A, Bruysters M, Ballesteros JA, Haaksma E, Bakker RA, Pardo L, Leurs R
Linking agonist binding to histamine H1 receptor activation
Nat Chem Biol,(2005) 1pp.:98-105 Pubmed

Jongejan A, Leurs R
Delineation of receptor-ligand interactions at the human histamine H1 receptor by a combined approach of site-directed mutagenesis and computational techniques - or - how to bind the H1 receptor.
Arch Pharm (Weinheim),(2005) 338pp.:248-259 Pubmed

Bruysters M, Jongejan A, Gillard M, van de Manakker F, Bakker RA, Leurs R
Pharmacological differences between human and guinea pig histamine H1 receptors: Asn84 (2.61) as key residue within an additional binding pocket in the H1 receptor.
Mol Pharmacol,(2005) 67pp.:1045-1052 Pubmed


van Lipzig MMH, Ter Laak AM, Jongejan A, Vermeulen NPE, Wamelink W, Geerke D, Meerman JHN
Prediction of ligand binding affinity and orientation of xenoestrogens to the estrogen receptor by molecular dynamics simulations and the linear interaction energy method.
J Med Chem, (2005) 47 pp.:1018-1030
Pubmed


Jongejan A, Jongejan JA, Hagen WR
Deuterium isotope effect on enantioselectivity in the Comamonas testosteroni QHADH-catalyzed kinetic resolution of rac-solketal
Biochim Biophys Acta, (2003) 1647 pp.:297-302
Pubmed

Casarosa P, Menge WM, Minsini R, Otto C, van Heteren J, Jongejan A, Timmerman H, Moepps B, Kirchhoff F, Mertens Th, Smit MJ, Leurs R
Identification of the first non-peptidergic inverse agonist for a constitutive active viral-encoded G-protein coupled receptor.
J Biol Chem, (2003) 278 pp.:5172-5178 Pubmed


Jongejan A, Jongejan JA, Hagen WR
Direct hydride transfer in the reaction mechanism of quinoprotein alcohol dehydrogenases: a quantum mechanical investigation.
J Comput Chem, (2001) 22 pp.: 1732-1749
Pubmed


Hacisalihoglu A, Jongejan A, Jongejan JA, Duine JA
Enantioselective oxidation of amphetamine by copper-containing quinoprotein amineoxidases from Escherichia coli and Klebsiella oxytoca.
J Mol Catal B: Enzym, (2000) 11 pp.:81-88
ScienceDirect

Jongejan A, Machado SS, Jongejan JA
The enantioselectivity of quinohaemoprotein alcohol dehydrogenases: mechanistic and structural aspects.
J Mol Catal B: Enzym (2000) 8 pp.:121-163 ScienceDirect


Machado SS, Jongejan A, Geerlof A, Jongejan JA, Duine JA
Entropic and enthalpic contributions to the enantioselectivity of quinohaemoprotein alcohol dehydrogenases from Acetobacter pasteurianus and Comamonas testosteroni in the oxidation of primary and secondary alcohols.
Biocatal Biotrans (1999) 17 pp.:179-207
Informaworld


Jongejan A, Jongejan JA, Duine JA
Homology model of the quinohaemoprotein alcohol dehydrogenase from Comamonas tesosteroni.
Prot Eng, (1998) 11 pp.:185-198
Pubmed