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Literature summary extracted from

  • Andricopulo, A.D.; Akoachere, M.B.; Krogh, R.; Nickel, C.; McLeish, M.J.; Kenyon, G.L.; Arscott, L.D.; Williams, C.H.; Davioud-Charvet, E.; Becker, K.
    Specific inhibitors of Plasmodium falciparum thioredoxin reductase as potential antimalarial agents (2006), Bioorg. Med. Chem. Lett., 16, 2283-2292.
    View publication on PubMed

Application

EC Number Application Comment Organism
1.8.1.9 medicine potential drug target for malaria chemotherapy Homo sapiens
1.8.1.9 medicine potential drug target for malaria chemotherapy Plasmodium falciparum

Inhibitors

EC Number Inhibitors Comment Organism Structure
1.8.1.9 1,1'-sulfanediylbis(2,4-dinitrobenzene) IC50: 0.004 mM Homo sapiens
1.8.1.9 1,1'-sulfanediylbis(2,4-dinitrobenzene) IC50: 0.0005 mM Plasmodium falciparum
1.8.1.9 1,1'-sulfanediylbis[2-nitro-4-(trifluoromethyl)benzene] IC50: 0.15 mM Homo sapiens
1.8.1.9 1,1'-sulfanediylbis[2-nitro-4-(trifluoromethyl)benzene] IC50: 0.02 mM Plasmodium falciparum
1.8.1.9 1,3-dinitro-5-(trifluoromethyl)benzene IC50: 0.2 mM Homo sapiens
1.8.1.9 1,3-dinitro-5-(trifluoromethyl)benzene IC50: 0.03 mM Plasmodium falciparum
1.8.1.9 2-chloro-1,3-dinitro-5-(trifluoromethyl)benzene IC50: 0.1 mM Homo sapiens
1.8.1.9 2-chloro-1,3-dinitro-5-(trifluoromethyl)benzene IC50: 0.008 mM Plasmodium falciparum
1.8.1.9 4,5-dinitro-1,3-benzodioxole IC50: 0.08 mM Homo sapiens
1.8.1.9 4,5-dinitro-1,3-benzodioxole IC50: 0.01 mM Plasmodium falciparum
1.8.1.9 4,6-dinitro-2,1,3-benzothiadiazole IC50: 0.002 mM Homo sapiens
1.8.1.9 4,6-dinitro-2,1,3-benzothiadiazole IC50: 0.01 mM Plasmodium falciparum
1.8.1.9 4-nitro-2,1,3-benzothiadiazole IC50: 0.05 mM Homo sapiens
1.8.1.9 4-nitro-2,1,3-benzothiadiazole IC50: 0.002 mM Plasmodium falciparum
1.8.1.9 5-nitro-1,3-benzodioxole IC50: 0.2 mM Homo sapiens
1.8.1.9 5-nitro-1,3-benzodioxole 0.1 mM, 10% inhibition Plasmodium falciparum
1.8.1.9 5-nitro-2,1,3-benzothiadiazole IC50: 0.09 mM Homo sapiens
1.8.1.9 5-nitro-2,1,3-benzothiadiazole IC50: 0.01 mM Plasmodium falciparum
1.8.1.9 6,7-dinitroquinoxaline IC50: 0.14 mM Homo sapiens
1.8.1.9 6,7-dinitroquinoxaline IC50: 0.002 mM Plasmodium falciparum
1.8.1.9 6-nitroquinoxaline IC50: 0.2 mM Homo sapiens
1.8.1.9 6-nitroquinoxaline IC50: 0.04 mM Plasmodium falciparum

Molecular Weight [Da]

EC Number Molecular Weight [Da] Molecular Weight Maximum [Da] Comment Organism
1.8.1.9 55000
-
 2 * 55000 Homo sapiens
1.8.1.9 55000
-
 2 * 55000 Plasmodium falciparum

Organism

EC Number Organism UniProt Comment Textmining
1.8.1.9 Homo sapiens
-
-
-
1.8.1.9 Plasmodium falciparum
-
-
-

Substrates and Products (Substrate)

EC Number Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
1.8.1.9 thioredoxin + NADP+
-
 Homo sapiens thioredoxin disulfide + NADPH
-
 ?
1.8.1.9 thioredoxin + NADP+
-
 Plasmodium falciparum thioredoxin disulfide + NADPH
-
 ?

Subunits

EC Number Subunits Comment Organism
1.8.1.9 homodimer 2 * 55000 Homo sapiens
1.8.1.9 homodimer 2 * 55000 Plasmodium falciparum

Synonyms

EC Number Synonyms Comment Organism
1.8.1.9 thioredoxin reductase
-
 Homo sapiens
1.8.1.9 thioredoxin reductase
-
 Plasmodium falciparum
1.8.1.9 TrxR
-
 Homo sapiens
1.8.1.9 TrxR
-
 Plasmodium falciparum

Cofactor

EC Number Cofactor Comment Organism Structure
1.8.1.9 FAD
-
 Homo sapiens
1.8.1.9 FAD
-
 Plasmodium falciparum

IC50 Value

EC Number IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
1.8.1.9 0.0005
-
 IC50: 0.0005 mM Plasmodium falciparum 1,1'-sulfanediylbis(2,4-dinitrobenzene)
1.8.1.9 0.002
-
 IC50: 0.002 mM Plasmodium falciparum 4-nitro-2,1,3-benzothiadiazole
1.8.1.9 0.002
-
 IC50: 0.002 mM Plasmodium falciparum 6,7-dinitroquinoxaline
1.8.1.9 0.002
-
 IC50: 0.002 mM Homo sapiens 4,6-dinitro-2,1,3-benzothiadiazole
1.8.1.9 0.004
-
 IC50: 0.004 mM Homo sapiens 1,1'-sulfanediylbis(2,4-dinitrobenzene)
1.8.1.9 0.008
-
 IC50: 0.008 mM Plasmodium falciparum 2-chloro-1,3-dinitro-5-(trifluoromethyl)benzene
1.8.1.9 0.01
-
 IC50: 0.01 mM Plasmodium falciparum 5-nitro-2,1,3-benzothiadiazole
1.8.1.9 0.01
-
 IC50: 0.01 mM Plasmodium falciparum 4,6-dinitro-2,1,3-benzothiadiazole
1.8.1.9 0.01
-
 IC50: 0.01 mM Plasmodium falciparum 4,5-dinitro-1,3-benzodioxole
1.8.1.9 0.02
-
 IC50: 0.02 mM Plasmodium falciparum 1,1'-sulfanediylbis[2-nitro-4-(trifluoromethyl)benzene]
1.8.1.9 0.03
-
 IC50: 0.03 mM Plasmodium falciparum 1,3-dinitro-5-(trifluoromethyl)benzene
1.8.1.9 0.04
-
 IC50: 0.04 mM Plasmodium falciparum 6-nitroquinoxaline
1.8.1.9 0.05
-
 IC50: 0.05 mM Homo sapiens 4-nitro-2,1,3-benzothiadiazole
1.8.1.9 0.08
-
 IC50: 0.08 mM Homo sapiens 4,5-dinitro-1,3-benzodioxole
1.8.1.9 0.09
-
 IC50: 0.09 mM Homo sapiens 5-nitro-2,1,3-benzothiadiazole
1.8.1.9 0.1
-
 IC50: 0.1 mM Homo sapiens 2-chloro-1,3-dinitro-5-(trifluoromethyl)benzene
1.8.1.9 0.14
-
 IC50: 0.14 mM Homo sapiens 6,7-dinitroquinoxaline
1.8.1.9 0.15
-
 IC50: 0.15 mM Homo sapiens 1,1'-sulfanediylbis[2-nitro-4-(trifluoromethyl)benzene]
1.8.1.9 0.2
-
 IC50: 0.2 mM Homo sapiens 1,3-dinitro-5-(trifluoromethyl)benzene
1.8.1.9 0.2
-
 IC50: 0.2 mM Homo sapiens 6-nitroquinoxaline
1.8.1.9 0.2
-
 IC50: 0.2 mM Homo sapiens 5-nitro-1,3-benzodioxole