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Literature summary for 3.1.1.1 extracted from

  • Weng, Z.M.; Ge, G.B.; Dou, T.Y.; Wang, P.; Liu, P.K.; Tian, X.H.; Qiao, N.; Yu, Y.; Zou, L.W.; Zhou, Q.; Zhang, W.D.; Hou, J.
    Characterization and structure-activity relationship studies of flavonoids as inhibitors against human carboxylesterase 2 (2018), Bioorg. Chem., 77, 320-329 .
    View publication on PubMed
Search for more literature for 3.1.1.1

Inhibitors

Inhibitors Comment Organism Structure
3',4',7-trihydroxyisoflavone
-
 Homo sapiens
3',4'-dihydroxyflavone
-
 Homo sapiens
3,6-dihydroxyflavone
-
 Homo sapiens
3-hydroxyflavone
-
 Homo sapiens
5,6,7-trimethoxybaicalein
-
 Homo sapiens
5,6-dihydroxyflavone a specific hCE2 inhibitor, exhibits reversible, noncompetitive inhibition, 5,6-dihydroxyflavone displays high specificity toward hCE2 over hCE1 Homo sapiens
5,7,8-trihydroxyflavone
-
 Homo sapiens
5,7-dihydroxyflavone
-
 Homo sapiens
5-hydroxy-6-methoxyflavone
-
 Homo sapiens
5-hydroxyflavone
-
 Homo sapiens
6,7-dihydroxyflavone
-
 Homo sapiens
6-hydroxyflavone
-
 Homo sapiens
6-methoxyflavone
-
 Homo sapiens
7,8-dihydroxyflavone
-
 Homo sapiens
7-hydroxyflavone
-
 Homo sapiens
7-methoxybaicalein
-
 Homo sapiens
8-nitrobaicalein
-
 Homo sapiens
acacetin
-
 Homo sapiens
apigenin
-
 Homo sapiens
apigenin 7-O-methyl ether
-
 Homo sapiens
baicalein
-
 Homo sapiens
Calycosin
-
 Homo sapiens
daidzein
-
 Homo sapiens
diosmetin
-
 Homo sapiens
eupatilin
-
 Homo sapiens
fisetin
-
 Homo sapiens
galangin
-
 Homo sapiens
genistein
-
 Homo sapiens
glycitein
-
 Homo sapiens
glycitin
-
 Homo sapiens
herbacetin
-
 Homo sapiens
hispidulin
-
 Homo sapiens
isorhamnetin
-
 Homo sapiens
kaempferol
-
 Homo sapiens
luteolin
-
 Homo sapiens
additional information screening of fiftyeight flavonoids for inhibitory effects against hCE2 using a fluorescence-based method. C3 and C6 hydroxy groups are essential for hCE2 inhibition, while O-glycosylation or C-glycosylation lead to the loss of hCE2 inhibition. Among all tested flavonoids, 5,6-dihydroxyflavone display the most potent inhibitory effect against enzyme hCE2. Analysis of the inhibition mechanism of 5,6-dihydroxyflavone by both experimental and docking simulations, structure-inhibition relationships of flavonoids against hCE2, overview. No or poor inhibition by 6,7-dimethoxybaicalein, myricetin, baicalin, wogonoside, apigenin-7-O-glucronide, cynaroside, myricitrin, isovitexin, daidzin, biochanin A, calycosin-7-glucoside, and 3'-hydroxypuerarin Homo sapiens
nobiletin
-
 Homo sapiens
orientin
-
 Homo sapiens
oroxylin A
-
 Homo sapiens
oroxyloside A
-
 Homo sapiens
quercetin
-
 Homo sapiens
quercetin-3-rhamnoside
-
 Homo sapiens
scutellarein
-
 Homo sapiens
scutellarin
-
 Homo sapiens
tangeretin
-
 Homo sapiens
vitexin
-
 Homo sapiens
wogonin
-
 Homo sapiens

Localization

Localization Comment Organism GeneOntology No. Textmining
microsome
-
 Homo sapiens
-
-

Organism

Organism UniProt Comment Textmining
Homo sapiens O00748
-
-

Source Tissue

Source Tissue Comment Organism Textmining
liver
-
 Homo sapiens
-

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
3-O-(4-ethylbenzoyl)-3-hydroxyflavone + H2O
-
 Homo sapiens 3-hydroxylflavone + 4-ethylbenzoate
-
 ?

Synonyms

Synonyms Comment Organism
carboxylesterase 2
-
 Homo sapiens
HCE2
-
 Homo sapiens

Temperature Optimum [°C]

Temperature Optimum [°C] Temperature Optimum Maximum [°C] Comment Organism
37
-
 assay at Homo sapiens

pH Optimum

pH Optimum Minimum pH Optimum Maximum Comment Organism
7.4
-
 assay at Homo sapiens

Ki Value [mM]

Ki Value [mM] Ki Value maximum [mM] Inhibitor Comment Organism Structure
additional information
-
 additional information inhibition kinetics Homo sapiens
0.00428
-
 5,6-dihydroxyflavone pH 7.4, 37°C Homo sapiens

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.0035
-
 pH 7.4, 37°C Homo sapiens 5,6-dihydroxyflavone
0.00363
-
 pH 7.4, 37°C Homo sapiens isorhamnetin
0.00473
-
 pH 7.4, 37°C Homo sapiens apigenin 7-O-methyl ether
0.00506
-
 pH 7.4, 37°C Homo sapiens 3,6-dihydroxyflavone
0.00685
-
 pH 7.4, 37°C Homo sapiens eupatilin
0.00764
-
 pH 7.4, 37°C Homo sapiens hispidulin
0.01216
-
 pH 7.4, 37°C Homo sapiens wogonin
0.01279
-
 pH 7.4, 37°C Homo sapiens galangin
0.01372
-
 pH 7.4, 37°C Homo sapiens fisetin
0.01457
-
 pH 7.4, 37°C Homo sapiens 6,7-dihydroxyflavone
0.01569
-
 pH 7.4, 37°C Homo sapiens 7-methoxybaicalein
0.01885
-
 pH 7.4, 37°C Homo sapiens quercetin
0.02016
-
 pH 7.4, 37°C Homo sapiens kaempferol
0.02082
-
 pH 7.4, 37°C Homo sapiens oroxylin A
0.02112
-
 pH 7.4, 37°C Homo sapiens baicalein
0.02405
-
 pH 7.4, 37°C Homo sapiens scutellarein
0.03067
-
 pH 7.4, 37°C Homo sapiens 6-hydroxyflavone
0.03344
-
 pH 7.4, 37°C Homo sapiens 5-hydroxy-6-methoxyflavone
0.03473
-
 pH 7.4, 37°C Homo sapiens luteolin
0.03706
-
 pH 7.4, 37°C Homo sapiens 3',4'-dihydroxyflavone
0.058
-
 pH 7.4, 37°C Homo sapiens 5,7,8-trihydroxyflavone
0.07549
-
 pH 7.4, 37°C Homo sapiens 5,7-dihydroxyflavone
0.08049
-
 pH 7.4, 37°C Homo sapiens nobiletin