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Literature summary for 1.8.1.B1 extracted from

  • Lyu, H.; Petukhov, P.A.; Banta, P.R.; Jadhav, A.; Lea, W.A.; Cheng, Q.; Arner, E.S.J.; Simeonov, A.; Thatcher, G.R.J.; Angelucci, F.; Williams, D.L.
    Characterization of lead compounds targeting the selenoprotein thioredoxin glutathione reductase for treatment of Schistosomiasis (2020), ACS Infect. Dis., 6, 393-405 .
    View publication on PubMed
Search for more literature for 1.8.1.B1

Application

Application Comment Organism
drug development identification of inhibitory compounds facilitates further development of anti-schistosomiasis drugs with novel mechanism of action Schistosoma mansoni

Inhibitors

Inhibitors Comment Organism Structure
2-(4-chlorobenzene-1-sulfonyl)-6-methoxy-3-nitropyridine
-
 Schistosoma mansoni
4-chloro-5-[4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl]-2-phenylpyridazin-3(2H)-one
-
 Schistosoma mansoni
5-chloro-N-[4-[ethyl(phenyl)sulfamoyl]phenyl]-2-(methanesulfonyl)pyrimidine-4-carboxamide
-
 Schistosoma mansoni
5-[[3-(trifluoromethyl)anilino]methyl]quinolin-8-ol
-
 Schistosoma mansoni
6-nitro-1H-1-benzothiophene-1,1-dione
-
 Schistosoma mansoni
7-[(4-methoxyphenyl)[(4-methylpyridin-2-yl)amino]methyl]-2-methylquinolin-8-ol
-
 Schistosoma mansoni
diethyl 2-(3-bromo-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-4-yl)-3-oxobutanedioate
-
 Schistosoma mansoni
methyl (5-[1-[(tert-butoxycarbonyl)amino]-2-phenylethyl]-1,3,4-oxadiazole-2-sulfonyl)acetate
-
 Schistosoma mansoni

Metals/Ions

Metals/Ions Comment Organism Structure
selenium selenoprotein Schistosoma mansoni

Natural Substrates/ Products (Substrates)

Natural Substrates Organism Comment (Nat. Sub.) Natural Products Comment (Nat. Pro.) Rev. Reac.
glutathione disulfide + NADPH + H+ Schistosoma mansoni the enzyme of the parasite essential for the survival of schistosomes in the mammalian host 2 glutathione + NADP+
-
 ?
thioredoxin disulfide + NADPH + H+ Schistosoma mansoni the enzyme of the parasite essential for the survival of schistosomes in the mammalian host thioredoxin + NADP+
-
 ?

Organism

Organism UniProt Comment Textmining
Schistosoma mansoni
-
-
-

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
glutathione disulfide + NADPH + H+
-
 Schistosoma mansoni 2 glutathione + NADP+
-
 ?
glutathione disulfide + NADPH + H+ the enzyme of the parasite essential for the survival of schistosomes in the mammalian host Schistosoma mansoni 2 glutathione + NADP+
-
 ?
thioredoxin disulfide + NADPH + H+
-
 Schistosoma mansoni thioredoxin + NADP+
-
 ?
thioredoxin disulfide + NADPH + H+ the enzyme of the parasite essential for the survival of schistosomes in the mammalian host Schistosoma mansoni thioredoxin + NADP+
-
 ?

Synonyms

Synonyms Comment Organism
TGR
-
 Schistosoma mansoni
thioredoxin glutathione reductase
-
 Schistosoma mansoni

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.00005
-
 pH and temperature not specified in the publication, inhibition of GSSG reducing activity Schistosoma mansoni 2-(4-chlorobenzene-1-sulfonyl)-6-methoxy-3-nitropyridine
0.00013
-
 pH and temperature not specified in the publication, inhibition of GSSG reducing activity Schistosoma mansoni 5-[[3-(trifluoromethyl)anilino]methyl]quinolin-8-ol
0.00015
-
 pH and temperature not specified in the publication, inhibition of GSSG reducing activity Schistosoma mansoni diethyl 2-(3-bromo-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-4-yl)-3-oxobutanedioate
0.00023
-
 pH and temperature not specified in the publication, inhibition of GSSG reducing activity Schistosoma mansoni 5-chloro-N-[4-[ethyl(phenyl)sulfamoyl]phenyl]-2-(methanesulfonyl)pyrimidine-4-carboxamide
0.00033
-
 pH and temperature not specified in the publication, inhibition of GSSG reducing activity Schistosoma mansoni 7-[(4-methoxyphenyl)[(4-methylpyridin-2-yl)amino]methyl]-2-methylquinolin-8-ol
0.00039
-
 pH and temperature not specified in the publication, inhibition of GSSG reducing activity Schistosoma mansoni methyl (5-[1-[(tert-butoxycarbonyl)amino]-2-phenylethyl]-1,3,4-oxadiazole-2-sulfonyl)acetate
0.0022
-
 pH and temperature not specified in the publication, inhibition of GSSG reducing activity Schistosoma mansoni 6-nitro-1H-1-benzothiophene-1,1-dione
0.00249
-
 pH and temperature not specified in the publication, inhibition of GSSG reducing activity Schistosoma mansoni 4-chloro-5-[4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl]-2-phenylpyridazin-3(2H)-one

General Information

General Information Comment Organism
physiological function the enzyme of the parasite is essential for the survival of schistosomes in the mammalian host Schistosoma mansoni