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call loadScript javascripts\jsmol\core\package.js call loadScript javascripts\jsmol\core\core.z.js -- required by ClazzNode call loadScript javascripts\jsmol\J\awtjs2d\WebOutputChannel.js Jmol JavaScript applet jmolApplet0_object__7539024877928622__ initializing getValue debug = null getValue logLevel = null getValue allowjavascript = null AppletRegistry.checkIn(jmolApplet0_object__7539024877928622__) call loadScript javascripts\jsmol\core\corestate.z.js viewerOptions: { "name":"jmolApplet0_object","applet":true,"documentBase":"https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:3906","platform":"J.awtjs2d.Platform","fullName":"jmolApplet0_object__7539024877928622__","display":"jmolApplet0_canvas2d","signedApplet":"true","appletReadyCallback":"Jmol._readyCallback","statusListener":"[J.appletjs.Jmol.MyStatusListener object]","codeBase":"https://www.ebi.ac.uk/chebi/javascripts/jsmol/","syncId":"7539024877928622","bgcolor":"#000" } (C) 2012 Jmol Development Jmol Version: 13.2.7 $Date: 2013-10-01 11:35:15 -0500 (Tue, 01 Oct 2013) $ java.vendor: j2s java.version: 0.0 os.name: j2s Access: ALL memory: 0.0/0.0 processors available: 1 useCommandThread: false appletId:jmolApplet0_object (signed) starting HoverWatcher_1 getValue emulate = null defaults = "Jmol" getValue boxbgcolor = null getValue bgcolor = #000 backgroundColor = "#000" getValue ANIMFRAMECallback = null getValue APPLETREADYCallback = Jmol._readyCallback APPLETREADYCallback = "Jmol._readyCallback" getValue ATOMMOVEDCallback = null getValue CLICKCallback = null getValue ECHOCallback = null getValue ERRORCallback = null getValue EVALCallback = null getValue HOVERCallback = null getValue LOADSTRUCTCallback = null getValue MEASURECallback = null getValue MESSAGECallback = null getValue MINIMIZATIONCallback = null getValue PICKCallback = null getValue RESIZECallback = null getValue SCRIPTCallback = null getValue SYNCCallback = null getValue STRUCTUREMODIFIEDCallback = null getValue doTranslate = null language=en_US getValue popupMenu = null getValue script = null Jmol applet jmolApplet0_object__7539024877928622__ ready call loadScript javascripts\jsmol\core\corescript.z.js call loadScript javascripts\jsmol\J\script\FileLoadThread.js starting QueueThread0_2 script 1 started starting HoverWatcher_3 starting HoverWatcher_4 The Resolver thinks Mol COU - Ideal conformer Mrv1927 05282121323D starting HoverWatcher_5 Time for openFile(COU - Ideal conformer Mrv1927 05282121323D 17 18 0 0 0 0 999 V2000 -2.0440 0.2290 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8780 -1.1730 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6300 -1.7050 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5130 -0.7870 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8260 -1.2700 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8710 -0.3900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6400 0.9780 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3540 1.4740 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2760 0.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1690 0.6940 -0.0010 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9920 1.0630 -0.0010 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7430 -1.8200 0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4830 -2.7750 -0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0120 -2.3340 -0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8850 -0.7630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4770 1.6610 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1850 2.5410 0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 10 2 0 0 0 0 1 11 1 0 0 0 0 2 3 2 0 0 0 0 2 12 1 0 0 0 0 3 4 1 0 0 0 0 3 13 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 14 1 0 0 0 0 6 7 1 0 0 0 0 6 15 1 0 0 0 0 7 8 2 0 0 0 0 7 16 1 0 0 0 0 8 9 1 0 0 0 0 8 17 1 0 0 0 0 9 11 1 0 0 0 0 M END): 16 ms reading 17 atoms ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. Default Van der Waals type for model set to Babel 17 atoms created ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation Script completed Jmol script terminated
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| Coumarin () or 2H-chromen-2-one is an aromatic organic chemical compound with formula C9H6O2. Its molecule can be described as a benzene molecule with two adjacent hydrogen atoms replaced by an unsaturated lactone ring −(CH)=(CH)−(C=O)−O−, forming a second six-membered heterocycle that shares two carbons with the benzene ring. It belongs to the benzopyrone chemical class and is considered a lactone.
Coumarin is a colorless crystalline solid with a sweet odor resembling the scent of vanilla and a bitter taste. It is found in many plants, where it may serve as a chemical defense against predators. While coumarin is not an anticoagulant, its 3-alkyl-4-hydroxy derivatives, such as the fungal metabolite dicoumarol, inhibit synthesis of vitamin K, a key component in blood clotting. A related compound, the prescription drug anticoagulant warfarin, is used to inhibit formation of blood clots, deep vein thrombosis, and pulmonary embolism. |
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Read full article at Wikipedia
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| InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H |
| ZYGHJZDHTFUPRJ-UHFFFAOYSA-N |
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Eupatorium cannabinum subsp. asiaticum
(NCBI:txid102770)
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Found in
aerial part
(BTO:0001658).
MeOH extract of shade-dried, pulverized aerial parts
See:
PubMed
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Homo sapiens
(NCBI:txid9606)
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See:
DOI
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human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
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fluorescent dye
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View more via ChEBI Ontology
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Outgoing
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coumarin
(CHEBI:28794)
has role
fluorescent dye
(CHEBI:51121)
coumarin
(CHEBI:28794)
has role
human metabolite
(CHEBI:77746)
coumarin
(CHEBI:28794)
has role
plant metabolite
(CHEBI:76924)
coumarin
(CHEBI:28794)
is a
coumarins
(CHEBI:23403)
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Incoming
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3,4-dihydrocoumarin
(CHEBI:16151)
has functional parent
coumarin
(CHEBI:28794)
3-(4-chlorophenyl)-2H-1-benzopyran-2-one
(CHEBI:79706)
has functional parent
coumarin
(CHEBI:28794)
4-ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin
(CHEBI:34403)
has functional parent
coumarin
(CHEBI:28794)
5,6,7-trimethoxycoumarin
(CHEBI:28126)
has functional parent
coumarin
(CHEBI:28794)
6,8-difluoro-4-methylumbelliferyl phosphate
(CHEBI:133848)
has functional parent
coumarin
(CHEBI:28794)
6,8-difluoro-4-methylumbelliferyl phosphate (2−)
(CHEBI:133849)
has functional parent
coumarin
(CHEBI:28794)
7-hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin
(CHEBI:79572)
has functional parent
coumarin
(CHEBI:28794)
7-hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one
(CHEBI:79571)
has functional parent
coumarin
(CHEBI:28794)
7-methoxycoumarin-4-acetic acid
(CHEBI:51666)
has functional parent
coumarin
(CHEBI:28794)
daphnoretin
(CHEBI:4324)
has functional parent
coumarin
(CHEBI:28794)
licoarylcoumarin
(CHEBI:69100)
has functional parent
coumarin
(CHEBI:28794)
7-[(6-hydroxy-2,5,5,8a-tetramethyl-4-oxo-1,4,4a,5,6,7,8,8a-octahydro-1-naphthalenyl)methoxy]-2H-chromen-2-one
(CHEBI:141536)
is a
coumarin
(CHEBI:28794)
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1,2-Benzopyrone
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KEGG COMPOUND
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2-Propenoic acid, 3-(2-hydroxyphenyl)-, d-lactone
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KEGG COMPOUND
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2-Propenoic acid, 3-(2-hydroxyphenyl)-, delta-lactone
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KEGG COMPOUND
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2H-1-Benzopyran-2-one
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KEGG COMPOUND
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2H-benzo[b]pyran-2-one
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NIST Chemistry WebBook
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5,6-Benzo-2-pyrone
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KEGG COMPOUND
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Benzo-a-pyrone
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KEGG COMPOUND
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Benzo-alpha-pyrone
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KEGG COMPOUND
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cis-o-Coumarinic acid lactone
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KEGG COMPOUND
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Coumarine
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KEGG COMPOUND
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Coumarine
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KEGG COMPOUND
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Coumarinic anhydride
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KEGG COMPOUND
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Cumarin
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KEGG COMPOUND
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o-hydroxycinnamic acid δ-lactone
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NIST Chemistry WebBook
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o-Hydroxycinnamic acid lactone
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KEGG COMPOUND
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Rattex
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KEGG COMPOUND
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Tonka bean camphor
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KEGG COMPOUND
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738
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DrugCentral
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C00002460
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KNApSAcK
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C05851
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KEGG COMPOUND
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COU
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PDBeChem
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Coumarin
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Wikipedia
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COUMARIN
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MetaCyc
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D07751
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KEGG DRUG
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DB04665
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DrugBank
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HMDB0001218
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HMDB
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LSM-2519
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LINCS
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| View more database links |
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165222
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Gmelin Registry Number
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Gmelin
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383644
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Reaxys Registry Number
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Reaxys
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91-64-5
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CAS Registry Number
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NIST Chemistry WebBook
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91-64-5
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CAS Registry Number
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ChemIDplus
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Keller AN, Eckle SB, Xu W, Liu L, Hughes VA, Mak JY, Meehan BS, Pediongco T, Birkinshaw RW, Chen Z, Wang H, D'Souza C, Kjer-Nielsen L, Gherardin NA, Godfrey DI, Kostenko L, Corbett AJ, Purcell AW, Fairlie DP, McCluskey J, Rossjohn J (2017)
Drugs and drug-like molecules can modulate the function of mucosal-associated invariant T cells.
Nature immunology 18, 402-411 [PubMed:28166217]
[show Abstract]
The major-histocompatibility-complex-(MHC)-class-I-related molecule MR1 can present activating and non-activating vitamin-B-based ligands to mucosal-associated invariant T cells (MAIT cells). Whether MR1 binds other ligands is unknown. Here we identified a range of small organic molecules, drugs, drug metabolites and drug-like molecules, including salicylates and diclofenac, as MR1-binding ligands. Some of these ligands inhibited MAIT cells ex vivo and in vivo, while others, including diclofenac metabolites, were agonists. Crystal structures of a T cell antigen receptor (TCR) from a MAIT cell in complex with MR1 bound to the non-stimulatory and stimulatory compounds showed distinct ligand orientations and contacts within MR1, which highlighted the versatility of the MR1 binding pocket. The findings demonstrated that MR1 was able to capture chemically diverse structures, spanning mono- and bicyclic compounds, that either inhibited or activated MAIT cells. This indicated that drugs and drug-like molecules can modulate MAIT cell function in mammals. | Weigt S, Huebler N, Strecker R, Braunbeck T, Broschard TH (2012)
Developmental effects of coumarin and the anticoagulant coumarin derivative warfarin on zebrafish (Danio rerio) embryos.
Reproductive toxicology (Elmsford, N.Y.) 33, 133-141 [PubMed:21798343]
[show Abstract]
Coumarin and warfarin, two substances which are intensively metabolized in animals and humans, were tested for teratogenicity and embryo lethality in a 3-day in vitro assay using zebrafish embryos. Warfarin is a coumarin derivative, but in contrast to the mother substance warfarin has anticoagulant properties. Both substances produced teratogenic and lethal effects in zebrafish embryos. The LC(50) and EC(50) values for coumarin are 855 μM and 314 μM, respectively; the corresponding values for warfarin are 988 μM and 194 μM. For coumarin, three main or fingerprint endpoints (malformation of head, tail and growth retardation) were identified, whereas malformation of tail was the only fingerprint endpoint of warfarin. The analysis of the ratios between the zebrafish embryo effect concentrations of both substances and human therapeutic plasma concentrations confirmed the teratogenic potential of warfarin, as well as the equivocal status of coumarin. | Marcolan M, Martins PA, Pedrosa VA, Rodrigues MR, de Oliveira HP, Codognoto L (2011)
Spectrofluorimetric determination of coumarin in commercial tablets.
Journal of fluorescence 21, 733-738 [PubMed:21046436]
[show Abstract]
A simple, rapid and effective analytical method based on fluorescence spectroscopy for the determination of coumarin in pharmaceutical formulations without pre-treatment or pre-concentration step was development. Coumarin had maximum excitation and emission at 310 nm and 390 nm, respectively. Optimum conditions for the detection of coumarin were investigated. Under optimized conditions, we observed a linear behavior for the sign of coumarin in the concentration range of 2.5 × 10(-6) to 1.0 × 10(-4) mol L(-1), with linearity of 0.998 and sensitivity of 2.9 × 10(10) u.a/mol L(-1). The proposed method was validated in terms of accuracy, precision and specificity of coumarin using the standard addition and external calibration. It was noted that the results support (P<0.05), indicating that the matrices were not an interference in the determination of coumarin by fluorescence spectroscopy. The results were favorable compared with those obtained by reference chromatographic methods. | Abraham K, Pfister M, Wöhrlin F, Lampen A (2011)
Relative bioavailability of coumarin from cinnamon and cinnamon-containing foods compared to isolated coumarin: a four-way crossover study in human volunteers.
Molecular nutrition & food research 55, 644-653 [PubMed:21462332]
[show Abstract]
ScopeCassia cinnamon contains high levels (up to 1 %) of coumarin. Heavy consumption of this spice may result in a dose exceeding the tolerable daily intake (TDI). In this context, the question was raised whether coumarin in the plant matrix of cinnamon has the same bioavailability as isolated coumarin.Methods and resultsA four-way crossover study was performed, in which the same dose of 12 mg coumarin was administered in different formulations to 24 healthy volunteers. The relative extent of absorption measured as urinary excretion of the main metabolite 7-hydroxycoumarin (7OHC) was found to be 62.8% for isolated coumarin in a capsule (reference), 56.0% for cinnamon in capsules, 66.1% for cinnamon tea, and 54.7% for cinnamon in rice pudding (means, n=23, observation period 8 hours). Additionally, 7OHC plasma levels were measured for 105 minutes after administration and revealed a fast absorption of coumarin from cinnamon tea leading to the highest peak concentrations.ConclusionThe relative extent of absorption of coumarin from powder of cassia cinnamon is only slightly lower than that of isolated coumarin. Therefore, the TDI of coumarin can be used for risk assessment of coumarin exposure from cinnamon-containing meals. | Spiegelhauer O, Mende S, Dickert F, Knauer SH, Ullmann GM, Dobbek H (2010)
Cysteine as a modulator residue in the active site of xenobiotic reductase A: a structural, thermodynamic and kinetic study.
Journal of molecular biology 398, 66-82 [PubMed:20206186]
[show Abstract]
Xenobiotic reductase A (XenA) from Pseudomonas putida 86 catalyzes the NADH/NADPH-dependent reduction of various substrates, including 2-cyclohexenone and 8-hydroxycoumarin. XenA is a member of the old yellow enzyme (OYE) family of flavoproteins and is structurally and functionally similar to other bacterial members of this enzyme class. A characteristic feature of XenA is the presence of a cysteine residue (Cys25) in the active site, where in most members of the OYE family a threonine residue is found that modulates the reduction potential of the FMN/FMNH(-) couple. We investigated the role of Cys25 by studying two variants in which the residue has been exchanged for a serine and an alanine residue. While the exchange against alanine has a remarkably small effect on the reduction potential, the reactivity and the structure of XenA, the exchange against serine increases the reduction potential by +82 mV, increases the rate constant of the reductive half-reaction and decreases the rate constant in the oxidative half-reaction. We determined six crystal structures at high to true atomic resolution (d(min) 1.03-1.80 A) of the three XenA variants with and without the substrate coumarin bound in the active site. The atomic resolution structure of XenA in complex with coumarin reveals a compressed active site geometry in which the isoalloxazine ring is sandwiched between coumarin and the protein backbone. The structures further reveal that the conformation of the active site and substrate interactions are preserved in the two variants, indicating that the observed changes are due to local effects only. We propose that Cys25 and the residues in its place determine which of the two half-reactions is rate limiting, depending on the substrate couple. This might help to explain why the genome of Pseudomonas putida encodes multiple xenobiotic reductases containing either cysteine, threonine or alanine in the active site. | Coltro WK, Lunte SM, Carrilho E (2008)
Comparison of the analytical performance of electrophoresis microchannels fabricated in PDMS, glass, and polyester-toner.
Electrophoresis 29, 4928-4937 [PubMed:19025869]
[show Abstract]
This paper compares the analytical performance of microchannels fabricated in PDMS, glass, and polyester-toner for electrophoretic separations. Glass and PDMS chips were fabricated using well-established photolithographic and replica-molding procedures, respectively. PDMS channels were sealed against three different types of materials: native PDMS, plasma-oxidized PDMS, and glass. Polyester-toner chips were micromachined by a direct-printing process using an office laser printer. All microchannels were fabricated with similar dimensions according to the limitations of the direct-printing process (width/depth 150 microm/12 microm). LIF was employed for detection to rule out any losses in separation efficiency due to the detector configuration. Two fluorescent dyes, coumarin and fluorescein, were used as model analytes. Devices were evaluated for the following parameters related to electrophoretic separations: EOF, heat dissipation, injection reproducibility, separation efficiency, and adsorption to channel wall. | Vocanson M, Valeyrie M, Rozières A, Hennino A, Floc'h F, Gard A, Nicolas JF (2007)
Lack of evidence for allergenic properties of coumarin in a fragrance allergy mouse model.
Contact dermatitis 57, 361-364 [PubMed:17988284]
[show Abstract]
BackgroundThere is controversy as to whether coumarin, an ingredient in cosmetics and fragrances, is a contact allergen involved in fragrance allergy. We recently showed that the purity of coumarin is a critical parameter for its allergenicity because coumarin preparations containing trace amounts of contaminants induced cell proliferation in the local lymph node (LN) assay whereas pure coumarin did not.Objective/methodIn the present study, we analyzed the sensitizing properties of coumarin (purity > 99.9) and of dihydrocoumarin (DHC), in a recently developed model of fragrance allergy in mice.ResultsDHC was able to prime T cells in LNs draining the sensitization skin site and to induce a typical allergic contact dermatitis (ACD) reaction upon challenge, confirming that DHC is endowed with moderate sensitizing properties. In contrast, no T-cell activation and no ACD responses were obtained following sensitization and challenge with coumarin.ConclusionThese results confirm that pure coumarin is endowed with very weak sensitizing capacities, if any, and suggest that the presence of contaminants in coumarin preparations may account for the previously reported allergenic properties of coumarin. | Griese JJ, P Jakob R, Schwarzinger S, Dobbek H (2006)
Xenobiotic reductase A in the degradation of quinoline by Pseudomonas putida 86: physiological function, structure and mechanism of 8-hydroxycoumarin reduction.
Journal of molecular biology 361, 140-152 [PubMed:16822524]
[show Abstract]
A continuous evolutionary pressure of the biotic and abiotic world has led to the development of a diversity of microbial pathways to degrade and biomineralize aromatic and heteroaromatic compounds. The heterogeneity of compounds metabolized by bacteria like Pseudomonas putida indicates the large variety of enzymes necessary to catalyse the required reactions. Quinoline, a N-heterocyclic aromatic compound, can be degraded by microbes along different pathways. For P. putida 86 quinoline degradation by the 8-hydroxycoumarin pathway has been described and several intermediates were identified. To select enzymes catalysing the later stages of the 8-hydroxycoumarin pathway P. putida 86 was grown with quinoline. The FMN-containing enzyme xenobiotic reductase A (XenA) was isolated and analysed for its reactivity with intermediates of the 8-hydroxycoumarin pathway. XenA catalyses the NADPH-dependent reduction of 8-hydroxycoumarin and coumarin to produce 8-hydroxy-3,4-dihydrocoumarin and 3,4-dihydrocoumarin, respectively. Crystallographic analysis of XenA alone and in complex with the two substrates revealed insights into the mechanism. XenA shows a dimeric arrangement of two (beta/alpha)(8) barrel domains each binding one FMN cofactor. High resolution crystal structures of complexes with 8-hydroxycoumarin and coumarin show different modes of binding for these molecules in the active site. While coumarin is ideally positioned for hydride transfer from N-5 of the isoalloxazine ring to C-4 of coumarin, 8-hydroxycoumarin forms a non-productive complex with oxidised XenA. Orientation of 8-hydroxycoumarin in the active site appears to be dependent on the electronic state of the flavin. We postulate that XenA catalyses the last step of the 8-hydroxycoumarin pathway before the heterocyclic ring is hydrolysed to yield 3-(2,3-dihydroxyphenyl)-propionic acid. As XenA is also found in P. putida strains unable to degrade quinoline, it appears to have more than one physiological function and is an example of how enzymes with low substrate specificity can help to explain the variety of degradation pathways possible. | Yano JK, Hsu MH, Griffin KJ, Stout CD, Johnson EF (2005)
Structures of human microsomal cytochrome P450 2A6 complexed with coumarin and methoxsalen.
Nature structural & molecular biology 12, 822-823 [PubMed:16086027]
[show Abstract]
Human microsomal cytochrome P450 2A6 (CYP2A6) contributes extensively to nicotine detoxication but also activates tobacco-specific procarcinogens to mutagenic products. The CYP2A6 structure shows a compact, hydrophobic active site with one hydrogen bond donor, Asn297, that orients coumarin for regioselective oxidation. The inhibitor methoxsalen effectively fills the active site cavity without substantially perturbing the structure. The structure should aid the design of inhibitors to reduce smoking and tobacco-related cancers. | Krasteva M, Peguet-Navarro J, Moulon C, Courtellemont P, Redziniak G, Schmitt D (1996)
In vitro primary sensitization of hapten-specific T cells by cultured human epidermal Langerhans cells--a screening predictive assay for contact sensitizers.
Clinical and experimental allergy : journal of the British Society for Allergy and Clinical Immunology 26, 563-570 [PubMed:8735869]
[show Abstract]
BackgroundThe need to develop predictive tests which could identify potential allergens has been recognized for many years. There is as yet no accepted in vitro method for the assessment of contact sensitizers.ObjectiveWe have tested the ability of a range of contact allergens to induce in vitro primary sensitization of autologous T cells.MethodT-cell proliferation induced by haptens using 2-day cultured human Langerhans cells as antigen-presenting cell was assessed by 3H thymidine incorporation. Antigen specific stimulation was calculated as stimulation indexes.ResultsStrong allergens induced in vitro a primary T-cell response in all (trinitrophenyl, TNP: 13/13) or in the majority (fluorescein isothiocyanate, FITC: 7/10) of experiments. An irritant, sodium dodecyl sulfate (SDS), failed to generate a significant T-cell proliferation in any of the experiments (0/10). We obtained a significant lymphoproliferative response to weak sensitizers only in a limited number of experiments: (coumarin: 1/12, citronellal: 0/10, hydroxycitronellal: 2/8). p-Phenylenediamine (PPDA), a prohapten and highly sensitizing chemical in vivo, generated primary sensitization in vitro in only one of six experiments, while Bandrowski's base (BB), a metabolization product of PPDA induced a significant T-cell response in all six experiments.ConclusionThe present in vitro model allows discrimination between two groups of substances: strong contact sensitizers (TNP, FITC, BB) on the one hand and weak sensitizers (coumarin, citronellal and hydroxycitronellal) and irritants (SDS) on the other hand. It could be used as a screening in vitro assay to eliminate strong contact allergens before further predictive animal tests have to be performed. |
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