Detail Information of Xenobiotics

General Information of Xenobiotics (ID: XEO00538)
Xenobiotics Name
Quercetin
Xenobiotics Type
Pharmaceutical Agent(s)
Classification
Drug in Phase 1 Clinical Trial
Structure
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3D MOL 2D MOL
PubChem CID
5280343
DME(s) Modulated by This Xenobiotics
DME(s) Inhibited by This Xenobiotics
Alcohol dehydrogenase class-III (ADH5) DME Info Homo sapiens [1]
Alcohol dehydrogenase class-V (ADH6) DME Info Homo sapiens [2]
Aldo-keto reductase 1C2 (AKR1C2) DME Info Homo sapiens [3]
Aldehyde dehydrogenase 5 (ALDHX) DME Info Homo sapiens [3]
Aldehyde dehydrogenase 2 (ALDH2) DME Info Homo sapiens [4]
Azoreductase (azoR) DME Info Escherichia coli [5]
L,D-carboxypeptidase A (ldcA) DME Info Escherichia coli [5]
Cytosolic branched aminotransferase (BCAT1) DME Info Homo sapiens [1]
Beta-lactamase (blaB) DME Info Escherichia coli [5]
Catalase (CAT) DME Info Homo sapiens [6]
Chloramphenicolase (chlR) DME Info Escherichia coli [5]
Glycoside hydrolase (cscA) DME Info Escherichia coli [5]
NADPH-dependent curcumin reductase (curA) DME Info Escherichia coli [5]
Microsomal cytochrome MCB5 (CYB5A) DME Info Homo sapiens [7]
Aromatase (CYP19A1) DME Info Homo sapiens [8]
Cytochrome P450 1A1 (CYP1A1) DME Info Homo sapiens [9], [10]
Cytochrome P450 1A2 (CYP1A2) DME Info Homo sapiens [11]
Cytochrome P450 1B1 (CYP1B1) DME Info Homo sapiens [9], [10]
Vitamin D(3) 24-hydroxylase (CYP24A1) DME Info Homo sapiens [12]
Mephenytoin 4-hydroxylase (CYP2C19) DME Info Homo sapiens [11]
Cytochrome P450 2C8 (CYP2C8) DME Info Homo sapiens [13]
Cytochrome P450 2C9 (CYP2C9) DME Info Homo sapiens [11]
Cytochrome P450 2D6 (CYP2D6) DME Info Homo sapiens [11]
Cytochrome P450 3A4 (CYP3A4) DME Info Homo sapiens [11]
DOPA decarboxylase (DDC) DME Info Homo sapiens [1]
Delta(24)-sterol reductase (DHCR24) DME Info Homo sapiens [7]
Unclear metabolic mechanism (DME-unclear) DME Info Escherichia coli [5]
Glutamate decarboxylase (gadB) DME Info Escherichia coli [5]
Glutathione S-transferase alpha-1 (GSTA1) DME Info Homo sapiens [14]
Glutathione S-transferase pi (GSTP1) DME Info Homo sapiens [15]
HMG-CoA reductase (HMGCR) DME Info Homo sapiens [3]
Histamine N-methyltransferase (HNMT) DME Info Homo sapiens [1]
Heparanase (HPSE) DME Info Homo sapiens [16]
Estradiol 17-beta-dehydrogenase 2 (HSD17B2) DME Info Homo sapiens [17]
Peroxisomal multifunctional enzyme 2 (HSD17B4) DME Info Homo sapiens [3]
D-Lactate dehydrogenase (ldhA) DME Info Escherichia coli [5]
D-Lactate dehydrogenase (ldhA) DME Info Pseudomonas aeruginosa [18]
Methionine-tRNA ligase mitochondrial (MARS2) DME Info Homo sapiens [1]
S-adenosylmethionine synthase 1 (MAT1A) DME Info Homo sapiens [1]
Microsomal glutathione S-transferase 2 (MGST2) DME Info Homo sapiens [6]
Molybdopterin-dependent enzyme (molD) DME Info Escherichia coli [5]
Glutamate racemase (MurI) DME Info Escherichia coli [5]
Methylarsonite methyltransferase N6AMT1 (N6AMT1) DME Info Homo sapiens [7]
Arylamine N-acetyltransferase (NAT) DME Info Pseudomonas aeruginosa [18]
N-ethylmaleimide reductase (nemA) DME Info Escherichia coli [5]
Oxygen-insensitive NADPH nitroreductase A (nfsA) DME Info Escherichia coli [5]
Oxygen-insensitive NADPH nitroreductase B (nfsB) DME Info Escherichia coli [5]
Nitric oxide synthase inducible (NOS2) DME Info Homo sapiens [1]
Ecto-5'-nucleotidase (NT5E) DME Info Homo sapiens [19]
NADH dehydrogenase (nuoE) DME Info Streptomyces griseus [5]
Phosphoglucomutase 1 (PGM1) DME Info Homo sapiens [1]
Choline phosphatase 1 (PLD1) DME Info Homo sapiens [20]
Hydroxybenzoate 3-monooxygenase (pobA) DME Info Pseudomonas aeruginosa [18]
NADPH-cytochrome P450 reductase (CPR) DME Info Homo sapiens [4]
Prostaglandin G/H synthase 1 (COX-1) DME Info Homo sapiens [21]
Prostaglandin G/H synthase 2 (COX-2) DME Info Homo sapiens [22]
Xylosyl phosphatase (PXYLP1) DME Info Homo sapiens [3]
Transglutaminase H (TGM2) DME Info Homo sapiens [1]
Thymidylate synthase (TYMS) DME Info Homo sapiens [1]
Tyramine oxidase (tynA) DME Info Escherichia coli [5]
Beta-glucuronidase (uidA) DME Info Escherichia coli [5]
DME(s) Induced by This Xenobiotics
Adenosine aminohydrolase (ADA) DME Info Homo sapiens [23]
Arylsulfatase A (ARSA) DME Info Homo sapiens [24]
Carbonic anhydrase II (CA2) DME Info Homo sapiens [25]
Cytidine aminohydrolase (CDA) DME Info Homo sapiens [15]
Carboxylesterase 2 (CES2) DME Info Homo sapiens [26]
Calcidiol 1-monooxygenase (CYP27B1) DME Info Homo sapiens [27]
Cytochrome P450 2A6 (CYP2A6) DME Info Homo sapiens [28]
Sodium/potassium-transporting ATPase gamma (FXYD2) DME Info Homo sapiens [24]
N-acetyl-beta-glucosaminidase beta (HEXB) DME Info Homo sapiens [29], [30]
Metallothionein-2A (MT2A) DME Info Homo sapiens [30]
Quinone reductase 1 (NQO1) DME Info Homo sapiens [29]
Superoxide dismutase 1 (SOD1) DME Info Homo sapiens [30]
Thioredoxin reductase TR1 (TXNRD1) DME Info Homo sapiens [24]
UDP-glucuronosyltransferase 1A1 (UGT1A1) DME Info Homo sapiens [31]
UDP-glucuronosyltransferase 1A6 (UGT1A6) DME Info Homo sapiens [32]
Xanthine dehydrogenase/oxidase (XDH) DME Info Homo sapiens [33]
Xenobiotics-DME Activity Data
Xenobiotics-DME Activity Data Aromatase (CYP19A1) DME Info IC50 = 0.012 microM [8]
Cytochrome P450 1A1 (CYP1A1) DME Info IC50 = 1.191 microM [9], [10]
Cytochrome P450 1A2 (CYP1A2) DME Info IC50 = 1.55 microM [11]
Cytochrome P450 1B1 (CYP1B1) DME Info IC50 = 0.077 microM [9], [10]
Mephenytoin 4-hydroxylase (CYP2C19) DME Info IC50 = 10.5 microM [11]
Cytochrome P450 2C8 (CYP2C8) DME Info IC50 = 1.2 microM [13]
Cytochrome P450 2C9 (CYP2C9) DME Info IC50 = 10.2 microM [11]
Cytochrome P450 2D6 (CYP2D6) DME Info IC50 = 18.8 microM [11]
Cytochrome P450 3A4 (CYP3A4) DME Info IC50 = 2.11 microM [11]
Estradiol 17-beta-dehydrogenase 2 (HSD17B2) DME Info IC50 = 1.54 microM [17]
Prostaglandin G/H synthase 2 (COX-2) DME Info IC50 = 28.6 microM [22]
References
1 Disturbance of gene expression in primary human hepatocytes by hepatotoxic pyrrolizidine alkaloids: A whole genome transcriptome analysis. Toxicol In Vitro. 2015 Oct;29(7):1669-82.
2 Essential requirements for substrate binding affinity and selectivity toward human CYP2 family enzymes. Arch Biochem Biophys. 2003 Jan 1;409(1):32-44.
3 Responses of A549 human lung epithelial cells to cristobalite and alpha-quartz exposures assessed by toxicoproteomics and gene expression analysis. J Appl Toxicol. 2017 Jun;37(6):721-731.
4 Investigation of the reactivation kinetics of a large series of bispyridinium oximes with organophosphate-inhibited human acetylcholinesterase. Toxicol Lett. 2016 Feb 26;244:136-142.
5 Suppression of bacterial cell-cell signalling, biofilm formation and type III secretion system by citrus flavonoids. J Appl Microbiol. 2010 Aug;109(2):515-27.
6 Pyridoxal oxime derivative potency to reactivate cholinesterases inhibited by organophosphorus compounds. Toxicol Lett. 2016 Nov 16;262:114-122.
7 Comparison of phenotypic and transcriptomic effects of false-positive genotoxins, true genotoxins and non-genotoxins using HepG2 cells. Mutagenesis. 2011 Sep;26(5):593-604.
8 Pharmacophore modeling strategies for the development of novel nonsteroidal inhibitors of human aromatase (CYP19). Bioorg Med Chem Lett. 2010 May 15;20(10):3050-64.
9 Selective inhibition of methoxyflavonoids on human CYP1B1 activity. Bioorg Med Chem. 2010 Sep 1;18(17):6310-5.
10 Quinazoline derivatives as selective CYP1B1 inhibitors. Eur J Med Chem. 2017 Apr 21;130:320-327.
11 Identifying a selective substrate and inhibitor pair for the evaluation of CYP2J2 activity. Drug Metab Dispos. 2012 May;40(5):943-51.
12 The influence of picolines on glutathione transferase activity and subunit composition in human liver derived Hep G2 cells. Biochem Pharmacol. 1994 Nov 16;48(10):1976-8.
13 Discovery of GBT440, an orally bioavailable R-state stabilizer of sickle cell hemoglobin. ACS Med Chem Lett. 2017 Jan 23;8(3):321-326.
14 Inhibition of human cytochrome P450 1B1, 1A1 and 1A2 by antigenotoxic compounds, purpurin and alizarin. Mutat Res. 2002 Oct 31;508(1-2):147-56.
15 The Val16Ala-SOD2 polymorphism affects cyto-genotoxicity of pyridostigmine bromide on human peripheral blood mononuclear cells. Toxicol In Vitro. 2019 Oct;60:237-244.
16 Species-specific differences in the inhibition of human and zebrafish 11beta-hydroxysteroid dehydrogenase 2 by thiram and organotins. Toxicology. 2012 Nov 15;301(1-3):72-8.
17 Discovery of nonsteroidal 17beta-hydroxysteroid dehydrogenase 1 inhibitors by pharmacophore-based screening of virtual compound libraries. J Med Chem. 2008 Jul 24;51(14):4188-99.
18 Quercetin is an effective inhibitor of quorum sensing, biofilm formation and virulence factors in Pseudomonas aeruginosa. J Appl Microbiol. 2016 Apr;120(4):966-74.
19 Design and synthesis of potent amido- and benzyl-substituted cis-3-amino-4-(2-cyanopyrrolidide)pyrrolidinyl DPP-IV inhibitors. Bioorg Med Chem Lett. 2007 Dec 15;17(24):6707-13.
20 Methylglyoxal disturbs the expression of antioxidant, apoptotic and glycation responsive genes and triggers programmed cell death in human leukocytes. Toxicol In Vitro. 2019 Mar;55:33-42.
21 Compounds with the dioxopyrimidine cycle inhibit cholinesterases from different groups of animals. Chem Biol Interact. 2008 Sep 25;175(1-3):286-92.
22 Lipoxygenase inhibitory constituents of the fruits of noni (Morinda citrifolia) collected in Tahiti. J Nat Prod. 2007 May;70(5):859-62.
23 Pyrene is a novel constitutive androstane receptor (CAR) activator and causes hepatotoxicity by CAR. Toxicol Sci. 2015 Oct;147(2):436-45.
24 Nrf2-mediated adaptive response to methyl glyoxal in HepG2 cells involves the induction of AKR7A2. Chem Biol Interact. 2015 Jun 5;234:366-71.
25 Quercetin, quercetin glycosides and taxifolin differ in their ability to induce AhR activation and CYP1A1 expression in HepG2 cells. Phytother Res. 2012 Nov;26(11):1746-52.
26 Ethanol increases content and activity of human cytochrome P4502E1 in a transduced HepG2 cell line. Biochem Biophys Res Commun. 1994 Aug 30;203(1):727-33.
27 JNK inhibitor SP600125 is a partial agonist of human aryl hydrocarbon receptor and induces CYP1A1 and CYP1A2 genes in primary human hepatocytes. Biochem Pharmacol. 2008 Jan 15;75(2):580-8.
28 Puerarin activates endothelial nitric oxide synthase through estrogen receptor-dependent PI3-kinase and calcium-dependent AMP-activated protein kinase. Toxicol Appl Pharmacol. 2011 Nov 15;257(1):48-58.
29 Zinc pyrithione induces cellular stress signaling and apoptosis in Hep-2 cervical tumor cells: the role of mitochondria and lysosomes. Biometals. 2010 Apr;23(2):339-54.
30 Zinc pyrithione impairs zinc homeostasis and upregulates stress response gene expression in reconstructed human epidermis. Biometals. 2011 Oct;24(5):875-90.
31 Oxyresveratrol stimulates mucin production in an NAD+-dependent manner in human intestinal goblet cells. Food Chem Toxicol. 2018 Aug;118:880-888.
32 Induction of CYP1A1 and CYP1A2 expressions by prototypic and atypical inducers in the human lung. Cancer Lett. 2002 Apr 8;178(1):25-36.
33 Effect of Pyrethrins on cytochrome P450 forms in cultured rat and human hepatocytes. Toxicology. 2008 Jan 14;243(1-2):84-95.

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