BRENDA - Enzyme Database

The evaluation of novel natural products as inhibitors of human glutathione transferase P1-1

Mukanganyama, S.; Bezabih, M.; Robert, M.; Ngadjui, B.T.; Kapche, G.F.; Ngandeu, F.; Abegaz, B.; J. Enzyme Inhib. Med. Chem. 26, 460-467 (2011)

Data extracted from this reference:

Cloned(Commentary)
EC Number
Commentary
Organism
2.5.1.18
GSTP1-1 expression in Escherichia coli
Homo sapiens
Inhibitors
EC Number
Inhibitors
Commentary
Organism
Structure
2.5.1.18
(2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
a coumaroflavan from Treculia africana, 26% total inhibition at 0.033 mM
Homo sapiens
2.5.1.18
(4S,6Z,10Z,11aS)-4-ethoxy-6-(hydroxymethyl)-3-methylidene-10-propoxy-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2(3H)-one
a sesquiterpene lactone from Dicoma anomala collected from Namibia, 75% total inhibition at 0.033 mM
Homo sapiens
2.5.1.18
1,7-dihydroxyanthracen-9(10H)-one
a xanthone from Mammea africana, 21% total inhibition at 0.033 mM
Homo sapiens
2.5.1.18
2-hydroxyanthracen-9(10H)-one
a xanthone Mammea from africana, 38% total inhibition at 0.033 mM
Homo sapiens
2.5.1.18
3-(3,4-dihydroxybenzoyl)-4-hydroxy-8-methyl-1,5,7-tris(3-methylbut-2-en-1-yl)-8-(4-methylpent-3-en-1-yl)bicyclo[3.3.1]non-3-ene-2,9-dione
a benzophenone Garcinia smeathmannii, 41% total inhibition at 0.033 mM
Homo sapiens
2.5.1.18
3-ethyl-2-oxo-3,3a,7a,9b-tetrahydro-2H,4aH-1,4,5-trioxadicyclopenta[a,hi]indene-7-carboxylic acid
an iridoid from Plumeeria rubra, 51% total inhibition at 0.033 mM
Homo sapiens
2.5.1.18
4-[3-(5,5-dimethyl-4-oxo-4,5-dihydrofuran-2-yl)-3-hydroxybutoxy]-7H-furo[3,2-g]chromen-7-one
a furocoumarin from Dorstenia elliptica, 34% total inhibition at 0.033 mM
Homo sapiens
2.5.1.18
5,7-dihydroxy-6-(2-hydroxybutanoyl)-8-(3-methylbut-2-en-1-yl)-4-propyl-2H-chromen-2-one
a coumarin from Mammea africana, 33% total inhibition at 0.033 mM
Homo sapiens
2.5.1.18
5,8-dihydroxy-1-(hydroxymethyl)naphtho[2,3-c]furan-4,9-dione
an isofuranonapthoquinone from Bulbine frutescens, the mode of inhibition is mixed, partial (G site) and noncompetitive (H site), 68% total inhibition at 0.033 mM
Homo sapiens
2.5.1.18
6-butanoyl-5,7-dihydroxy-4-phenyl-2H-chromen-2-one
a coumarin from Mammea africana, 23% total inhibition at 0.033 mM
Homo sapiens
Organism
EC Number
Organism
Primary Accession No. (UniProt)
Commentary
Textmining
2.5.1.18
Homo sapiens
-
-
-
Purification (Commentary)
EC Number
Commentary
Organism
2.5.1.18
recombinant GSTP1-1 from Escherichia coli
Homo sapiens
Substrates and Products (Substrate)
EC Number
Substrates
Commentary Substrates
Literature (Substrates)
Organism
Products
Commentary (Products)
Literature (Products)
Organism (Products)
Reversibility
2.5.1.18
1-chloro-2,4-dinitrobenzene + glutathione
-
722870
Homo sapiens
S-(2,4-dinitrophenyl)glutathione + HCl
-
-
-
?
2.5.1.18
monochlorobimane + glutathione
-
722870
Homo sapiens
bimane-glutathione + HCl
-
-
-
?
2.5.1.18
additional information
monochlorobimane and 1-chloro-2,4-dinitrobenzene are used to determine GST activity
722870
Homo sapiens
?
-
-
-
-
Ki Value [mM]
EC Number
Ki Value [mM]
Ki Value maximum [mM]
Inhibitor
Commentary
Organism
Structure
2.5.1.18
0.00021
-
5,8-dihydroxy-1-(hydroxymethyl)naphtho[2,3-c]furan-4,9-dione
inhibition H site, pH and temperature not specified in the publication
Homo sapiens
2.5.1.18
0.0088
-
5,8-dihydroxy-1-(hydroxymethyl)naphtho[2,3-c]furan-4,9-dione
inhibition G site, pH and temperature not specified in the publication
Homo sapiens
IC50 Value
EC Number
IC50 Value
IC50 Value Maximum
Commentary
Organism
Inhibitor
Structure
2.5.1.18
0.0068
-
pH and temperature not specified in the publication
Homo sapiens
5,8-dihydroxy-1-(hydroxymethyl)naphtho[2,3-c]furan-4,9-dione
Cloned(Commentary) (protein specific)
EC Number
Commentary
Organism
2.5.1.18
GSTP1-1 expression in Escherichia coli
Homo sapiens
IC50 Value (protein specific)
EC Number
IC50 Value
IC50 Value Maximum
Commentary
Organism
Inhibitor
Structure
2.5.1.18
0.0068
-
pH and temperature not specified in the publication
Homo sapiens
5,8-dihydroxy-1-(hydroxymethyl)naphtho[2,3-c]furan-4,9-dione
Inhibitors (protein specific)
EC Number
Inhibitors
Commentary
Organism
Structure
2.5.1.18
(2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
a coumaroflavan from Treculia africana, 26% total inhibition at 0.033 mM
Homo sapiens
2.5.1.18
(4S,6Z,10Z,11aS)-4-ethoxy-6-(hydroxymethyl)-3-methylidene-10-propoxy-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2(3H)-one
a sesquiterpene lactone from Dicoma anomala collected from Namibia, 75% total inhibition at 0.033 mM
Homo sapiens
2.5.1.18
1,7-dihydroxyanthracen-9(10H)-one
a xanthone from Mammea africana, 21% total inhibition at 0.033 mM
Homo sapiens
2.5.1.18
2-hydroxyanthracen-9(10H)-one
a xanthone Mammea from africana, 38% total inhibition at 0.033 mM
Homo sapiens
2.5.1.18
3-(3,4-dihydroxybenzoyl)-4-hydroxy-8-methyl-1,5,7-tris(3-methylbut-2-en-1-yl)-8-(4-methylpent-3-en-1-yl)bicyclo[3.3.1]non-3-ene-2,9-dione
a benzophenone Garcinia smeathmannii, 41% total inhibition at 0.033 mM
Homo sapiens
2.5.1.18
3-ethyl-2-oxo-3,3a,7a,9b-tetrahydro-2H,4aH-1,4,5-trioxadicyclopenta[a,hi]indene-7-carboxylic acid
an iridoid from Plumeeria rubra, 51% total inhibition at 0.033 mM
Homo sapiens
2.5.1.18
4-[3-(5,5-dimethyl-4-oxo-4,5-dihydrofuran-2-yl)-3-hydroxybutoxy]-7H-furo[3,2-g]chromen-7-one
a furocoumarin from Dorstenia elliptica, 34% total inhibition at 0.033 mM
Homo sapiens
2.5.1.18
5,7-dihydroxy-6-(2-hydroxybutanoyl)-8-(3-methylbut-2-en-1-yl)-4-propyl-2H-chromen-2-one
a coumarin from Mammea africana, 33% total inhibition at 0.033 mM
Homo sapiens
2.5.1.18
5,8-dihydroxy-1-(hydroxymethyl)naphtho[2,3-c]furan-4,9-dione
an isofuranonapthoquinone from Bulbine frutescens, the mode of inhibition is mixed, partial (G site) and noncompetitive (H site), 68% total inhibition at 0.033 mM
Homo sapiens
2.5.1.18
6-butanoyl-5,7-dihydroxy-4-phenyl-2H-chromen-2-one
a coumarin from Mammea africana, 23% total inhibition at 0.033 mM
Homo sapiens
Ki Value [mM] (protein specific)
EC Number
Ki Value [mM]
Ki Value maximum [mM]
Inhibitor
Commentary
Organism
Structure
2.5.1.18
0.00021
-
5,8-dihydroxy-1-(hydroxymethyl)naphtho[2,3-c]furan-4,9-dione
inhibition H site, pH and temperature not specified in the publication
Homo sapiens
2.5.1.18
0.0088
-
5,8-dihydroxy-1-(hydroxymethyl)naphtho[2,3-c]furan-4,9-dione
inhibition G site, pH and temperature not specified in the publication
Homo sapiens
Purification (Commentary) (protein specific)
EC Number
Commentary
Organism
2.5.1.18
recombinant GSTP1-1 from Escherichia coli
Homo sapiens
Substrates and Products (Substrate) (protein specific)
EC Number
Substrates
Commentary Substrates
Literature (Substrates)
Organism
Products
Commentary (Products)
Literature (Products)
Organism (Products)
Reversibility
2.5.1.18
1-chloro-2,4-dinitrobenzene + glutathione
-
722870
Homo sapiens
S-(2,4-dinitrophenyl)glutathione + HCl
-
-
-
?
2.5.1.18
monochlorobimane + glutathione
-
722870
Homo sapiens
bimane-glutathione + HCl
-
-
-
?
2.5.1.18
additional information
monochlorobimane and 1-chloro-2,4-dinitrobenzene are used to determine GST activity
722870
Homo sapiens
?
-
-
-
-