Literature summary for 1.8.1.12 extracted from

Martyn, D.C.; Jones, D.C.; Fairlamb, A.H.; Clardy, J.
High-throughput screening affords novel and selective trypanothione reductase inhibitors with anti-trypanosomal activity (2007), Bioorg. Med. Chem. Lett., 17, 1280-1283.

Search for more literature for 1.8.1.12

Application

Application	Comment	Organism
pharmacology	trypanothione reductase plays a central role in the trypanosomatid parasites defense against oxidative stress, trypanothione reductase is a promising target for antitrypanosomal drugs, novel inhibitors are identified	Trypanosoma brucei

Inhibitors

Inhibitors	Comment	Organism	Structure
1-(3,4-dichlorophenyl)-3-[(4-ethylphenyl)amino]propan-1-one	containing two Cl groups and one NH-4-EtPh group	Trypanosoma brucei
1-(3-nitrophenyl)-3-(phenylamino)propan-1-one	containing one NHPh group	Trypanosoma brucei
1-(4-chlorophenyl)-3-morpholin-4-ylpropan-1-one	containing one Cl group and one N-morpholinyl group	Trypanosoma brucei
1-[4-(methylsulfonyl)phenyl]-3-piperidin-1-ylpropan-1-one	containing one N-piperidyl group	Trypanosoma brucei
3-(3,4-dichlorophenyl)-N,N-dimethyl-3-oxopropan-1-aminium chloride	containing two Cl groups and one NMe2 HCl group	Trypanosoma brucei
3-[(2,3-dimethylphenyl)amino]-1-(3-nitrophenyl)propan-1-one	containing one NH-2,3-diMePh group	Trypanosoma brucei
3-[(3-fluorophenyl)amino]-1-(3-nitrophenyl)propan-1-one	containing one NH-3-FPh group	Trypanosoma brucei
4-(azepan-1-ylmethyl)-2,6-di-tert-butylphenol	containing one Bu group and one N-homopiperidylde group	Trypanosoma brucei
4-[(dimethylamino)methyl]-2,6-bis(1-methylethyl)phenol	containing one Pr group and one NMe2 group	Trypanosoma brucei
butyl 4-[[3-(3-nitrophenyl)-3-oxopropyl]amino]benzoate	containing one NH-4-(CO2-nBu)Ph group	Trypanosoma brucei
N,N-dimethyl-3-(3-nitrophenyl)-3-oxopropan-1-aminium chloride	containing one NMe2 HCl group	Trypanosoma brucei
N,N-dimethyl-3-[4-(methylsulfonyl)phenyl]-3-oxopropan-1-aminium chloride	containing one NMe2 HCl group	Trypanosoma brucei
N-(3,5-di-tert-butyl-4-hydroxybenzyl)-2-hydroxyethanaminium chloride	containing one Bu group and one N((CH2)2OH) HCl group	Trypanosoma brucei

Organism

Organism	UniProt	Comment	Textmining
Trypanosoma brucei	-	-	-

Substrates and Products (Substrate)

Substrates	Comment Substrates	Organism	Products	Comment (Products)	Rev.	Reac.
trypanothione + 5,5'-dithiobis-(2-nitrobenzoic acid)	novel inhibitors are identified	Trypanosoma brucei	trypanothione disulfide + thionitrobenzoate	-	?

Synonyms

Synonyms	Comment	Organism
trypanothione reductase	TR	Trypanosoma brucei
trypanothione-disulfide reductase	-	Trypanosoma brucei

IC50 Value

IC50 Value	IC50 Value Maximum	Comment	Organism	Inhibitor	Structure
0.00034	-	-	Trypanosoma brucei	N,N-dimethyl-3-(3-nitrophenyl)-3-oxopropan-1-aminium chloride
0.0015	-	-	Trypanosoma brucei	3-[(2,3-dimethylphenyl)amino]-1-(3-nitrophenyl)propan-1-one
0.0017	-	-	Trypanosoma brucei	1-(3-nitrophenyl)-3-(phenylamino)propan-1-one
0.0024	-	-	Trypanosoma brucei	N-(3,5-di-tert-butyl-4-hydroxybenzyl)-2-hydroxyethanaminium chloride
0.0024	-	-	Trypanosoma brucei	butyl 4-[[3-(3-nitrophenyl)-3-oxopropyl]amino]benzoate
0.0029	-	-	Trypanosoma brucei	N,N-dimethyl-3-[4-(methylsulfonyl)phenyl]-3-oxopropan-1-aminium chloride
0.0033	-	-	Trypanosoma brucei	3-(3,4-dichlorophenyl)-N,N-dimethyl-3-oxopropan-1-aminium chloride
0.0033	-	-	Trypanosoma brucei	3-[(3-fluorophenyl)amino]-1-(3-nitrophenyl)propan-1-one
0.0078	-	-	Trypanosoma brucei	1-[4-(methylsulfonyl)phenyl]-3-piperidin-1-ylpropan-1-one
0.0118	-	-	Trypanosoma brucei	4-[(dimethylamino)methyl]-2,6-bis(1-methylethyl)phenol
0.0388	-	-	Trypanosoma brucei	4-(azepan-1-ylmethyl)-2,6-di-tert-butylphenol
0.107	-	-	Trypanosoma brucei	1-(3,4-dichlorophenyl)-3-[(4-ethylphenyl)amino]propan-1-one
0.148	-	-	Trypanosoma brucei	1-(4-chlorophenyl)-3-morpholin-4-ylpropan-1-one

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Release 2023.1 (January 2023)