Literature summary for 1.8.1.12 extracted from

Venkatesan, S.K.; Shukla, A.K.; Dubey, V.K.
Molecular docking studies of selected tricyclic and quinone derivatives on trypanothione reductase of Leishmania infantum (2010), J. Comput. Chem., 31, 2463-2475.

Inhibitors

Inhibitors	Comment	Organism
2,2-dimethyl-2,3-dihydronaphtho[1,2-b]furan-4,5-dione	-	Leishmania infantum
2,2-dimethyl-3,4-dihydro-2H-benzo[g]chromene-5,10-dione	-	Leishmania infantum
2,2-dimethyl-3-(prop-2-en-1-yl)-3,4-dihydro-2H-benzo[h]chromene-5,6-dione	-	Leishmania infantum
2,2-dimethyl-4a,10b-dihydro-2H-benzo[h]chromene-5,6-dione	-	Leishmania infantum
2-(propan-2-yl)naphtho[1,2-b]furan-4,5-dione	-	Leishmania infantum
2-(propan-2-yl)naphtho[2,3-b]furan-4,9-dione	-	Leishmania infantum
2-ethylnaphtho[2,3-b]furan-4,9-dione	-	Leishmania infantum
2-hydroxy-3-(3-methylbut-2-en-1-yl)naphthalene-1,4-dione	-	Leishmania infantum
2-hydroxy-3-[(1E)-3-methylbut-1-en-1-yl]naphthalene-1,4-dione	-	Leishmania infantum
2-hydroxynaphthalene-1,4-dione	-	Leishmania infantum
2-methylnaphtho[2,3-b]furan-4,9-dione	-	Leishmania infantum
2-nitronaphtho[2,3-b]thiophene-4,9-dione	-	Leishmania infantum
2-propylnaphtho[1,2-b]furan-4,5-dione	-	Leishmania infantum
2-[(1E)-but-1-en-1-yl]-3-hydroxynaphthalene-1,4-dione	-	Leishmania infantum
3-(2-chloro-10H-phenothiazin-10-yl)-N,N-dimethyl-N-(4-methylbenzyl)propan-1-aminium	-	Leishmania infantum
3-(2-chloro-10H-phenothiazin-10-yl)-N,N-dimethyl-N-(pentafluorobenzyl)propan-1-aminium	-	Leishmania infantum
3-(2-chloro-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-amine	-	Leishmania infantum
3-(2-chloro-10H-phenothiazin-10-yl)-N-(3,4-dichlorobenzyl)-N,N-dimethylpropan-1-aminium	-	Leishmania infantum
3-(2-chloro-10H-phenothiazin-10-yl)-N-(3,4-dimethylbenzyl)-N,N-dimethylpropan-1-aminium	-	Leishmania infantum
3-(2-chloro-10H-phenothiazin-10-yl)-N-(3,5-dimethoxybenzyl)-N,N-dimethylpropan-1-aminium	-	Leishmania infantum
3-(2-chloro-10H-phenothiazin-10-yl)-N-[4-(cyclohexylmethyl)benzyl]-N,N-dimethylpropan-1-aminium	-	Leishmania infantum
3-bromo-2,2-dimethyl-2H-benzo[g]chromene-5,10-dione	-	Leishmania infantum
3-bromo-2,2-dimethyl-2H-benzo[h]chromene-5,6-dione	-	Leishmania infantum
3-bromo-2,2-dimethyl-3,4-dihydro-2H-benzo[h]chromene-5,6-dione	-	Leishmania infantum
5,7-dimethoxynaphtho[2,3-b]thiophene-4,9-dione	-	Leishmania infantum
5-methoxynaphtho[2,3-b]furan-4,9-dione	-	Leishmania infantum
6-chloro-2-methoxyacridin-9-amine	-	Leishmania infantum
6-methoxynaphtho[2,3-b]furan-4,9-dione	-	Leishmania infantum
7,8-dimethoxynaphtho[2,3-b]thiophene-4,9-dione	-	Leishmania infantum
8-methoxynaphtho[2,3-b]furan-4,9-dione	-	Leishmania infantum
9-hydroxy-2,2-dimethyl-3,4-dihydro-2H-benzo[h]chromene-5,6-dione	-	Leishmania infantum
amitryptyline	-	Leishmania infantum
clomipramine	-	Leishmania infantum
Mepacrine	-	Leishmania infantum
N-(3-chlorobenzyl)-3-(2-chloro-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-aminium	-	Leishmania infantum
N-(4-bromobenzyl)-3-(2-chloro-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-aminium	-	Leishmania infantum
N-(4-chlorobenzyl)-3-(2-chloro-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-aminium	-	Leishmania infantum
N-(4-tert-butylbenzyl)-3-(2-chloro-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-aminium	-	Leishmania infantum
N-benzyl-3-(2-chloro-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-aminium	-	Leishmania infantum
N-[4-(benzyloxy)benzyl]-3-(2-chloro-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-aminium	-	Leishmania infantum
N4-(3-chloroacridin-9-yl)-N1,N1-diethylpentane-1,4-diamine	-	Leishmania infantum
N5-(3-chloroacridin-9-yl)-N1,N1-diethylhexane-1,5-diamine	-	Leishmania infantum
naphtho[1,2-b]furan-4,5-dione	-	Leishmania infantum
naphtho[2,3-b]furan-4,9-dione	-	Leishmania infantum
trifluoroperazine	-	Leishmania infantum

Organism

Organism	UniProt	Comment	Textmining
Leishmania infantum	A4HSF7	-	-

Substrates and Products (Substrate)

Substrates	Comment Substrates	Organism	Products	Comment (Products)	Rev.	Reac.
trypanothione disulfide + NADPH + H+	-	Leishmania infantum	trypanothione + NADP+	-	?

Synonyms

Synonyms	Comment	Organism
trypanothione reductase	-	Leishmania infantum
TryR	-	Leishmania infantum

Cofactor

Cofactor	Comment	Organism	Structure
FAD	-	Leishmania infantum
NADPH	-	Leishmania infantum

Ki Value [mM]

Ki Value [mM]	Ki Value maximum [mM]	Inhibitor	Comment	Organism
0.00656	-	clomipramine	pH and temperature not specified in the publication	Leishmania infantum
0.019	-	Mepacrine	pH and temperature not specified in the publication	Leishmania infantum
0.0219	-	trifluoroperazine	pH and temperature not specified in the publication	Leishmania infantum
0.0936	-	amitryptyline	pH and temperature not specified in the publication	Leishmania infantum