Research Topics
Species | N P VermeulenSummaryAffiliation: Vrije Universiteit Country: The Netherlands Publications
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Detail Information
Publications
Enzyme-catalyzed activation of anticancer prodrugsMartijn Rooseboom
Leiden Amsterdam Center for Drug Research L A C D R, Division of Molecular Toxicology, Department of Pharmacochemistry, Vrije Universiteit Amsterdam, De Boelelaan 1083, Amsterdam, The Netherlands
Pharmacol Rev 56:53-102. 2004....- Prediction of drug metabolism: the case of cytochrome P450 2D6Nico P E Vermeulen
LACDR Section Molecular Toxicology, Department of Pharmacochemistry, Vrije Universiteit, De Boelelaan 1083, 1081 HV Amsterdam, The Netherlands
Curr Top Med Chem 3:1227-39. 2003.... - Toxicity of fotemustine in rat hepatocytes and mechanism-based protection against itN P Vermeulen
Leiden Amsterdam Center for Drug Research, Department of Pharmacochemistry, Vrije Universiteit, Amsterdam, The Netherlands
Chem Biol Interact 110:139-58. 1998..It might, therefore, be worthwhile to investigate the cytoprotective potency of these agents against undesired toxicities of fotemustine in vivo as well... - Cytotoxicity of a series of mono- and di-substituted thiourea in freshly isolated rat hepatocytes: a preliminary structure-toxicity relationship studyR C Onderwater
Leiden Amsterdam Center for Drug Research, Division of Molecular Toxicology, Vrije Universiteit, Amsterdam, The Netherlands
Toxicology 125:117-29. 1998.... - Cytochrome P450 catalyzed metabolism of 1,2-dibromoethane in liver microsomes of differentially induced ratsL W Wormhoudt
Leiden Amsterdam Center for Drug Research LACDR, Vrije Universiteit, Department of Pharmacochemistry, The Netherlands
Chem Biol Interact 99:41-53. 1996.... - Urinary thiodiacetic acid. A selective biomarker for the cytochrome P450-catalyzed oxidation of 1,2-dibromoethane in the ratL W Wormhoudt
Leiden Amsterdam Center for Drug Research, Department of Pharmacochemistry, Vrije Universiteit, The Netherlands
Drug Metab Dispos 25:508-15. 1997..In addition to 2-HEMA and S-[2-(N7-guanyl)ethyl]-N-acetyl-l-cysteine, TDA may be a valuable tool for biomonitoring and mechanistic studies into the metabolism and toxicity of 1,2-DBE... - Selective induction of cytochrome P450 3A1 by dexamethasone in cultured rat hepatocytes: analysis with a novel reverse transcriptase-polymerase chain reaction assay section signP A Hoen
Division of Biopharmaceutics, Leiden Amsterdam Center for Drug Research, 2300 RA, Leiden, The Netherlands
Biochem Pharmacol 60:1509-18. 2000..We conclude that the selective induction of CYP3A1 in dexamethasone-treated rat hepatocytes allows the study of biotransformation reactions by CYP3A1, without interference by any of the other CYP3A isoenzymes... - Bioactivation of selenocysteine Se-conjugates by a highly purified rat renal cysteine conjugate beta-lyase/glutamine transaminase KJ N Commandeur
Leiden Amsterdam Center for Drug Research, Division of Molecular Toxicology, Department of Pharmacochemistry, Vrije Universiteit Amsterdam, The Netherlands
J Pharmacol Exp Ther 294:753-61. 2000..The identity and characteristics of these alternative selenocysteine conjugate beta-lyases, however, remain to be established... - Mechanism of protection of ebselen against paracetamol-induced toxicity in rat hepatocytesQ J Li
Department of Pharmacochemistry, Vrije Universiteit Amsterdam, The Netherlands
Biochem Pharmacol 48:1631-40. 1994..Reduction of NAPQI, the reactive metabolite of paracetamol, by ebselen selenol is discussed in terms of the mechanism of cytoprotection... - Occurrence of a cytochrome P-450-containing mixed-function oxidase system in the pond snail, Lymnaea stagnalisM Wilbrink
Department of Pharmacochemistry, Free University, Amsterdam, The Netherlands
Xenobiotica 21:223-33. 1991..2 nmol biphenyl; in vitro 118 +/- 21 pmol and 21 +/- 9 nmol, respectively (digestive gland homogenate/mg protein, per hour). 7. The results indicate that the isoenzymes involved in the observed MFO activities resemble isoenzymes P-450b/e... - Activation of microsomal glutathione S-transferase and inhibition of cytochrome P450 1A1 activity as a model system for detecting protein alkylation by thiourea-containing compounds in rat liver microsomesR C Onderwater
Division of Molecular Toxicology, Leiden Amsterdam Center for Drug Research LACDR, Vrije Universiteit, De Boelelaan 1083, 1081 HV Amsterdam, The Netherlands
Chem Res Toxicol 12:396-402. 1999.... - Disposition of 1,2-[14C]Dibromoethane in male Wistar ratsL W Wormhoudt
Leiden Amsterdam Center for Drug Research, Division of Molecular Toxicology, Department of Pharmacochemistry, Vrije Universiteit, Amsterdam, The Netherlands
Drug Metab Dispos 26:437-47. 1998.... - The mechanism of interaction between cisplatin and seleniteG S Baldew
Department of Pharmacochemistry, Free University, Amsterdam, The Netherlands
Biochem Pharmacol 41:1429-37. 1991..It is proposed that the formation of a cisplatin-selenol complex also takes place in vivo, especially in the kidney, thereby preventing cisplatin exerting its nephrotoxic activity... - Biomarkers of free radical damage applications in experimental animals and in humansL L de Zwart
Leiden Amsterdam Center for Drug Research, Department of Pharmacochemistry, Vrije Universiteit, The Netherlands
Free Radic Biol Med 26:202-26. 1999.... - Characterization of thioether compounds formed from alkaline degradation products of enfluraneH Orhan
Division of Molecular Toxicology, Vrije Universiteit, Amsterdam, The Netherlands
Anesthesiology 95:165-75. 2001..The N-acetyl-L-cysteine S-conjugates identified may be biomarkers to assess exposure of humans to alkaline degradation products of enflurane... - Identification and quantitative determination of 3-chloro-2-hydroxypropylmercapturic acid and alpha-chlorohydrin in urine of rats treated with epichlorohydrinB M de Rooij
Leiden Amsterdam Center for Drug Research LACDR, Department of Pharmacochemistry, Free University, Amsterdam, Netherlands
J Chromatogr B Biomed Appl 685:241-50. 1996..It is anticipated that the analysis of CHPMA and alpha-CH based on GC-MS may be sufficiently sensitive to investigate urinary excretion from humans occupationally exposed to ECH... - Genetic polymorphisms of human N-acetyltransferase, cytochrome P450, glutathione-S-transferase, and epoxide hydrolase enzymes: relevance to xenobiotic metabolism and toxicityL W Wormhoudt
Leiden Amsterdam Center for Drug Research, Vrije Universiteit, Department of Pharmacochemistry, The Netherlands
Crit Rev Toxicol 29:59-124. 1999..This may lead to interindividual variability in efficacy of drugs and disease susceptibility... - Midazolam is a phenobarbital-like cytochrome p450 inducer in ratsP A Hoen
Leiden Amsterdam Center for Drug Research, Division of Biopharmaceutics, Leiden, The Netherlands
J Pharmacol Exp Ther 299:921-7. 2001..We conclude that midazolam is a phenobarbital-like CYP inducer in rats. Induction of CYP3A1 by midazolam may have implications for the longitudinal use of midazolam as a probe for analysis of CYP3A expression levels in rats... - Bioactivation of chemopreventive selenocysteine Se-conjugates and related amino acids by amino acid oxidases novel route of metabolism of selenoamino acidsM Rooseboom
Leiden/Amsterdam Center for Drug Research (LACDR, Division of Molecular Toxicology, Department of Pharmacochemistry, Vrije Universiteit Amsterdam, De Boelelaan 1083, 1081 HV Amsterdam, The Netherlands
Chem Res Toxicol 14:996-1005. 2001..The potential significance of this novel bioactivation route for the chemopreventive activity of selenocysteine Se-conjugates is discussed... - Inter-individual variability in the oxidation of 1,2-dibromoethane: use of heterologously expressed human cytochrome P450 and human liver microsomesL W Wormhoudt
Leiden Amsterdam Center for Drug Research LACDR, Vrije Universiteit, Department of Pharmacochemistry, Netherlands
Chem Biol Interact 101:175-92. 1996.... 
Enantioselective substrate binding in a monooxygenase protein model by molecular dynamics and dockingK Anton Feenstra
Department of Pharmacochemistry, Division of Molecular Toxicology, Leiden/Amsterdam Center for Drug Research, LACDR, Vrije Universiteit, Amsterdam
Biophys J 91:3206-16. 2006..Novel insights in the binding of ligands to SMO/StyA, provided by the current protein model, will aid the rational design of mutants with specific, altered enantioselective properties...- Role of the conserved threonine 309 in mechanism of oxidation by cytochrome P450 2D6Peter H J Keizers
Leiden Amsterdam Center for Drug Research (LACDR, Division of Molecular Toxicology, Department of Pharmacochemistry, Vrije Universiteit, De Boelelaan 1083, 1081 HV Amsterdam, The Netherlands
Biochem Biophys Res Commun 338:1065-74. 2005..These results indicate that T309 in CYP2D6 is involved in maintaining the balance of multiple oxygenating species and thus influences substrate and regioselectivity... - Active-site structure, binding and redox activity of the heme-thiolate enzyme CYP2D6 immobilized on coated Ag electrodes: a surface-enhanced resonance Raman scattering studyAlois Bonifacio
Analytical Chemistry and Applied Spectroscopy, Vrije Universiteit Amsterdam, De Boelelaan 1083a, 1081 HV Amsterdam, The Netherlands
J Biol Inorg Chem 13:85-96. 2008..This behavior indicated that although the enzyme's ability to exchange electrons is not altered by immobilization per se, MUA-coated electrodes are not suited to perform direct electrochemistry of CYP2D6... - Identification of critical residues in novel drug metabolizing mutants of cytochrome P450 BM3 using random mutagenesisBarbara M A van Vugt Lussenburg
LACDR Division of Molecular Toxicology, Department of Pharmacochemistry, Vrije Universiteit, De Boelelaan 1083, 1081 HV Amsterdam, The Netherlands
J Med Chem 50:455-61. 2007..Computer modeling studies were used to rationalize the effects of the mutations. This study shows that random mutagenesis can be used to identify novel critical residues, and to increase our insight into P450s... - Molecular modeling-guided site-directed mutagenesis of cytochrome P450 2D6Chris de Graaf
Leiden Amsterdam Center for Drug Research, Division of Molecular Toxicology, Vrije Universiteit Amsterdam, De Boelelaan 1083, 1081 HV Amsterdam, The Netherlands
Curr Drug Metab 8:59-77. 2007..This information is essential for successful pre-experimental virtual screening, as well as accurate hypothesis generation for in vitro studies in drug discovery and development... - Development of three parallel cytochrome P450 enzyme affinity detection systems coupled on-line to gradient high-performance liquid chromatographyJeroen Kool
Vrije Universiteit, Department of Pharmacochemistry, LACDR Division of Molecular Toxicology, De Boelelaan 1083, 1081 HV Amsterdam, The Netherlands
Drug Metab Dispos 35:640-8. 2007..The triple parallelized P450-EAD system was shown to enable rapid profiling of individual components in complex mixtures for inhibitory activity to three different P450s... - Development and validation of a fluorescence HPLC-based screening assay for inhibition of human estrogen sulfotransferaseJelle Reinen
LACDR-Department of Pharmacochemistry, Division of Molecular Toxicology, Vrije Universiteit, 1081 HV Amsterdam, The Netherlands
Anal Biochem 357:85-92. 2006..The method was demonstrated to be easy, feasible, and highly reproducible for SULT1E1 screening assay inhibition studies... - Heterotropic and homotropic cooperativity by a drug-metabolising mutant of cytochrome P450 BM3Barbara M A van Vugt-Lussenburg
LACDR/Division of Molecular Toxicology, Department of Pharmacochemistry, Vrije Universiteit, De Boelelaan 1083, 1081 HV Amsterdam, The Netherlands
Biochem Biophys Res Commun 346:810-8. 2006..Second, this study shows that BM3 can be engineered to a drug-metabolising enzyme, making it a promising candidate to use as biocatalyst in drug discovery and synthesis... - Surface-enhanced resonance Raman scattering of cytochrome P450-2D6 on coated silver hydrosolsAlois Bonifacio
Laser Centre Analytical Chemistry and Applied Spectroscopy, and LACDR Molecular Toxicology, Department of Chemistry and Pharmaceutical Sciences, Vrije Universiteit Amsterdam, De Boelelaan 1083, 1081 HV Amsterdam, The Netherlands
Langmuir 23:1860-6. 2007..Moreover, by tuning the wavelength of the exciting laser away from the main absorption band of the heme, the vibrational bands of the SAM coating are observed and analyzed to see how the presence of the protein affects the SAM structure... - Altered spin state equilibrium in the T309V mutant of cytochrome P450 2D6: a spectroscopic and computational studyAlois Bonifacio
Department of Chemistry and Pharmaceutical Sciences, Sections of Analytical Chemistry and Applied Spectroscopy ACAS, Organic and Inorganic Chemistry and Molecular Toxicology, Vrije Universiteit, Amsterdam, The Netherlands
J Biol Inorg Chem 12:645-54. 2007.... - Free energies of binding of R- and S-propranolol to wild-type and F483A mutant cytochrome P450 2D6 from molecular dynamics simulationsChris de Graaf
Division of Molecular Toxicology, Department of Chemistry and Pharmaceutical Sciences, Leiden Amsterdam Center for Drug Research LACDR, Vrije Universiteit, De Boelelaan 1083, 1081 HV, Amsterdam, The Netherlands
Eur Biophys J 36:589-99. 2007..Careful inspection of the end-points of the MD simulations involved in this approach, allowed for a molecular interpretation of the observed differences... - Inhibition of human recombinant cytochrome P450s by curcumin and curcumin decomposition productsRegina Appiah Opong
Division of Molecular Toxicology, Leiden Amsterdam Center for Drug Research LACDR, Department of Pharmacochemistry, Vrije Universiteit, De Boelelaan 1083, 1081 HV Amsterdam, The Netherlands
Toxicology 235:83-91. 2007..The decomposition products of curcumin showed no significant inhibitory activities towards the CYPs investigated, and therefore, are not likely to cause drug-drug interactions at the level of CYPs... - In vitro bioactivation of 3-(N-phenylamino)propane-1,2-diol by human and rat liver microsomes and recombinant P450 enzymes. Implications for toxic oil syndromeAnna Martínez-Cabot
Department of Biological Organic Chemistry, IIQAB, Consejo Superior de Investigaciones Cientificas, J Girona 18 26, 08034 Barcelona, Spain
Chem Res Toxicol 20:1218-24. 2007..In rat liver microsomes, P450 enzymes play a key role in the bioactivation of 1, whereas in human liver microsomes, autoxidation appears to be the major mechanism. The implications of these results for toxic oil syndrome are discussed... - Cytochrome P450 bio-affinity detection coupled to gradient HPLC: on-line screening of affinities to cytochrome P4501A2 and 2D6Jeroen Kool
LACDR Division of Molecular Toxicology, Department of Pharmacochemistry, Vrije Universiteit, De Boelelaan 1083, 1081 HV Amsterdam, The Netherlands
J Chromatogr B Analyt Technol Biomed Life Sci 858:49-58. 2007..Finally, the on-line CYP2D6 EAD system was used to screen for the inhibitory activities of stereoisomers of a mixture of five methylenedioxy-alkylamphetamines (XTC analogs) on a chiral analytical column... - Structural rationalization of novel drug metabolizing mutants of cytochrome P450 BM3Eva Stjernschantz
Leiden Amsterdam Centre for Drug Research, Division of Molecular Toxicology, Vrije Universiteit Amsterdam, De Boelelaan 1083, 1081 HV Amsterdam, The Netherlands
Proteins 71:336-52. 2008..This allows for an orientation of the substrates favorable for formation of the major metabolite by P450 BM3... - Application of drug metabolising mutants of cytochrome P450 BM3 (CYP102A1) as biocatalysts for the generation of reactive metabolitesMicaela C Damsten
LACDR, Division of Molecular Toxicology, Department of Pharmacochemistry, Vrije Universiteit, De Boelelaan 1083, 1081 HV Amsterdam, The Netherlands
Chem Biol Interact 171:96-107. 2008.... - Reversed-phase liquid chromatography coupled on-line to estrogen receptor bioaffinity detection based on fluorescence polarizationJelle Reinen
Department of Chemistry and Pharmaceutical Sciences, LACDR Division of Molecular Toxicology, Vrije Universiteit, De Boelelaan 1083, 1081 HV, Amsterdam, The Netherlands
Anal Bioanal Chem 390:1987-98. 2008..It is concluded that the on-line FP-based bioassay can be used to screen for the affinity of compounds without the disturbing occurrence of autofluorescence... - Computational prediction of drug binding and rationalisation of selectivity towards cytochromes P450Eva Stjernschantz
Vrije Universiteit Amsterdam, Leiden Amsterdam Centre for Drug Research, Division of Molecular Toxicology, De Boelelaan 1083, 1081 HV Amsterdam, The Netherlands
Expert Opin Drug Metab Toxicol 4:513-27. 2008..Simultaneously, many computational drug-design methods have been developed, and are being applied to study the interactions between drug candidates and cytochrome P450 enzymes (P450s)... - Rapid on-line profiling of estrogen receptor binding metabolites of tamoxifenJeroen Kool
Leiden Amsterdam Center for Drug Research/Division of Molecular Toxicology, Department of Chemistry and Pharmacochemistry, Vrije Universiteit, De Boelelaan 1083, 1081 HV Amsterdam, The Netherlands
J Med Chem 49:3287-92. 2006..Most of the 14 metabolites detected exhibited affinity for the ERalpha. The HRS methodology shows great potential for metabolite bio-affinity profiling and application in drug discovery and development... - Catalytic site prediction and virtual screening of cytochrome P450 2D6 substrates by consideration of water and rescoring in automated dockingChris de Graaf
Leiden/Amsterdam Center for Drug Research, Division of Molecular Toxicology, Division of Pharmaceutical Sciences, Department of Chemistry and Pharmacochemistry, Vrije Universiteit, De Boelelaan 1083, 1081 HV Amsterdam, The Netherlands
J Med Chem 49:2417-30. 2006.... - Beta-lyase-dependent attenuation of cisplatin-mediated toxicity by selenocysteine Se-conjugates in renal tubular cell linesMartijn Rooseboom
Leiden/Amsterdam Center for Drug Research, Division of Molecular Toxicology, Department of Pharmacochemistry, Vrije Universiteit Amsterdam, De Boelelaan 1083, 1081 HV Amsterdam, The Netherlands
J Pharmacol Exp Ther 301:884-92. 2002..The precise molecular mechanism by which selenols, generated by beta-lyase, provide protection against cisplatin-induced cytotoxicity, however, remains to be established... - Comparative study on the bioactivation mechanisms and cytotoxicity of Te-phenyl-L-tellurocysteine, Se-phenyl-L-selenocysteine, and S-phenyl-L-cysteineMartijn Rooseboom
Leiden/Amsterdam Center for Drug Research, Division of Molecular Toxicology, Department of Pharmacochemistry, Vrije Universiteit Amsterdam, De Boelelaan 1083, 1081 HV Amsterdam, The Netherlands
Chem Res Toxicol 15:1610-8. 2002.... - Homology modeling of rat and human cytochrome P450 2D (CYP2D) isoforms and computational rationalization of experimental ligand-binding specificitiesJennifer Venhorst
Department of Pharmacochemistry, Faculty of Sciences, Division of Molecular Toxicology, Leiden/Amsterdam Center for Drug Research, Vrije Universiteit, De Boelelaan 1083, 1081 HV Amsterdam, The Netherlands
J Med Chem 46:74-86. 2003..The current study thus provides new insights into differences in the active site topology of the investigated CYP2D isoforms... - Modeling and molecular dynamics of glutamine transaminase K/cysteine conjugate beta-lyaseJennifer Venhorst
Department of Pharmacochemistry, Division of Molecular Toxicology, Leiden/Amsterdam Center for Drug Research (LACDR, Vrije Universiteit, De Boelelaan 1083, 1081 HV, Amsterdam, The Netherlands
J Mol Graph Model 22:55-70. 2003..Ultimately, insight in the binding of ligands to GTK/beta-lyase may result in the rational design of new ligands and selective inhibitors... - Prediction of ligand binding affinity and orientation of xenoestrogens to the estrogen receptor by molecular dynamics simulations and the linear interaction energy methodMarola M H van Lipzig
Leiden/Amsterdam Center for Drug Research, Division of Molecular Toxicology and Division of Molecular Pharmacology, Vrije Universiteit Amsterdam, Amsterdam, The Netherlands
J Med Chem 47:1018-30. 2004..61 +/- 0.4 kcal/mol). In conclusion, our LIE model provides a very good method for prediction of absolute ligand binding affinities, as well as binding orientation of ligands... - Influence of phenylalanine 120 on cytochrome P450 2D6 catalytic selectivity and regiospecificity: crucial role in 7-methoxy-4-(aminomethyl)-coumarin metabolismPeter H J Keizers
LACDR/Division of Molecular Toxicology, Department of Pharmacochemistry, Vrije Universiteit, De Boelelaan 1083, 1081 HV Amsterdam, The Netherlands
Biochem Pharmacol 68:2263-71. 2004..These data indicate the importance of Phe(120) in the selectivity and regiospecificity in substrate binding and catalysis by CYP2D6... - Binding mode prediction of cytochrome p450 and thymidine kinase protein-ligand complexes by consideration of water and rescoring in automated dockingChris de Graaf
Leiden/Amsterdam Center for Drug Research, Division of Molecular Toxicology, Vrije Universiteit Amsterdam, De Boelelaan 1083, 1081 HV Amsterdam, The Netherlands
J Med Chem 48:2308-18. 2005.... - Cytochrome p450 in silico: an integrative modeling approachChris de Graaf
Leiden/Amsterdam Center for Drug Research, Division of Molecular Toxicology, Vrije Universiteit Amsterdam, De Boelelaan 1083, 1081 HV Amsterdam, The Netherlands
J Med Chem 48:2725-55. 2005 - Evaluation of alkoxyresorufins as fluorescent substrates for cytochrome P450 BM3 and site-directed mutantsBarbara M A Lussenburg
LACDR/Division of Molecular Toxicology, Department of Pharmacochemistry, Vrije Universiteit, De Boelelaan 1083, 1081 HV Amsterdam, The Netherlands
Anal Biochem 341:148-55. 2005..Of these compounds, 8 showed strong inhibition of the BROD activity, demonstrating for the first time that drug-like molecules also can bind with high affinity to BM3 mutants... - Development of a novel cytochrome p450 bioaffinity detection system coupled online to gradient reversed-phase high-performance liquid chromatographyJeroen Kool
LACDR-Division of Molecular Toxicology, Department of Pharmacochemistry, Vrije Universiteit, Amsterdam, The Netherlands
J Biomol Screen 10:427-36. 2005..It is concluded that this novel screening technology offers new perspectives for rapid and sensitive screening of individual compounds in mixtures exhibiting affinity for liver microsomal Cyt P450s... - The role of phenylalanine 483 in cytochrome P450 2D6 is strongly substrate dependentBarbara M A Lussenburg
LACDR/Division of Molecular Toxicology, Department of Pharmacochemistry, Vrije Universiteit, HV Amsterdam, The Netherlands
Biochem Pharmacol 70:1253-61. 2005..The presented data show that next to F120, residue F483 plays a very important role in the metabolism of typical CYP2D6 substrates. The influence of F483 on metabolism was found to be strongly substrate-dependent... - Metabolic regio- and stereoselectivity of cytochrome P450 2D6 towards 3,4-methylenedioxy-N-alkylamphetamines: in silico predictions and experimental validationPeter H J Keizers
Leiden Amsterdam Center for Drug Research (LACDR)/Division of Molecular Toxicology and Division of Organic and Inorganic Chemistry, Department of Chemistry and Pharmacochemistry, Vrije Universiteit, De Boelelaan 1083, 1081 HV Amsterdam, The Netherlands
J Med Chem 48:6117-27. 2005..Differences in regioselectivity and stereoselectivity in the oxidative metabolism of the MDAAs by the Phe120Ala mutant CYP2D6 were correctly predicted, and the effects of the Phe120Ala mutation could be rationalized as well... - Binding of 7-methoxy-4-(aminomethyl)-coumarin to wild-type and W128F mutant cytochrome P450 2D6 studied by time-resolved fluorescence spectroscopyAike Stortelder
Laser Centre VU, Department of Analytical Chemistry and Applied Spectroscopy, Vrije Universiteit, De Boelelaan 1083, 1081 HV Amsterdam, The Netherlands
Biochem J 393:635-43. 2006..However, the changes in the overall enzyme structure were not very large, since the emission characteristics of the enzyme were not very different in the presence of MAMC... - The role and application of in silico docking in chemical genomics researchAldo Jongejan
Division of Medicinal Chemistry, Leiden/Amsterdam Center for Drug Research, Faculty of Sciences, Vrije Universiteit, Amsterdam, The Netherlands
Methods Mol Biol 310:63-91. 2005..We also cover the analysis and rescoring of the obtained docking poses. Possible pitfalls in the docking studies are discussed and hints are provided to resolve commonly occurring problems... - Topological role of cytochrome P450 2D6 active site residuesRobert A B van Waterschoot
LACDR Division of Molecular Toxicology, Department of Pharmacochemistry, Vrije Universiteit, De Boelelaan 1083, 1081 HV Amsterdam, The Netherlands
Arch Biochem Biophys 447:53-8. 2006.... - Binding of bufuralol, dextromethorphan, and 3,4-methylenedioxymethylamphetamine to wild-type and F120A mutant cytochrome P450 2D6 studied by resonance Raman spectroscopyAlois Bonifacio
Laser Centre/Analytical Chemistry and Applied Spectroscopy, Vrije Universiteit Amsterdam, The Netherlands
Biochem Biophys Res Commun 343:772-9. 2006..These differences could be explained postulating a different substrate mobility for each compound in the CYP2D6 active site, consistently with the role previously suggested for Phe120 in binding dextromethorphan and MDMA... - Enzymatic pathways of beta elimination of chemopreventive selenocysteine Se conjugatesMartijn Rooseboom
Leiden/Amsterdam Center for Drug Research, Division of Molecular Toxicology, Department of Pharmacochemistry, Vrije Universiteit, 1081 HV Amsterdam, The Netherlands
Methods Enzymol 348:191-200. 2002