Literature summary for 1.8.1.12 extracted from

Colotti, G.; Ilari, A.; Fiorillo, A.; Baiocco, P.; Cinellu, M.A.; Maiore, L.; Scaletti, F.; Gabbiani, C.; Messori, L.
Metal-based compounds as prospective antileishmanial agents: inhibition of trypanothione reductase by selected gold complexes (2013), ChemMedChem, 8, 1634-1637.

Search for more literature for 1.8.1.12

Inhibitors

Inhibitors	Comment	Organism	Structure
(1,3,5-triaza-7-phosphaadamantane)Au(saccharine)	-	Leishmania infantum
Au(2-(2'-pyridyl)benzimidazole)Cl2	-	Leishmania infantum
Au-(N-(1-hydroxy-3-methylbutan-2-yl)pyridine-2-carboxamide)Cl	-	Leishmania infantum
AuCl3	-	Leishmania infantum
auranofin	-	Leishmania infantum
K[Au(saccharine)2]	-	Leishmania infantum
K[Au(saccharine)4]	-	Leishmania infantum
[(2,2'-bipyridine)Au(OH)2][PF6]	-	Leishmania infantum
[Au((S)-4-Bn-2-(pyridin-2-yl)-4,5-dihydro-oxazole)Cl2][PF6]	-	Leishmania infantum
[Au((S)-4-iPr-2-(pyridin-2-yl)-4,5-dihydro-oxazole)Cl2][PF6]	-	Leishmania infantum
[Au2(bipy)2(m-O)2](PF6)2	-	Leishmania infantum
[Cl2AuIII(2-(2'-pyridyl)benzimidazole)AuI(PPh3)](PF6)	-	Leishmania infantum

Molecular Weight [Da]

Molecular Weight [Da]	Molecular Weight Maximum [Da]	Comment	Organism
54680	-	2 * 54680, calculated from amino acid sequence	Leishmania infantum

Natural Substrates/ Products (Substrates)

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

Organism

Organism	UniProt	Comment	Textmining
Leishmania infantum	-	-	-

Substrates and Products (Substrate)

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

Subunits

Subunits	Comment	Organism
homodimer	2 * 54680, calculated from amino acid sequence	Leishmania infantum

Synonyms

Synonyms	Comment	Organism
trypanothione reductase	-	Leishmania infantum

Cofactor

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

Ki Value [mM]

Ki Value [mM]	Ki Value maximum [mM]	Inhibitor	Comment	Organism	Structure
0.000022	-	[Cl2AuIII(2-(2'-pyridyl)benzimidazole)AuI(PPh3)](PF6)	at pH 7.5 and 25°C	Leishmania infantum
0.00004	-	[(2,2'-bipyridine)Au(OH)2][PF6]	at pH 7.5 and 25°C	Leishmania infantum
0.00005	-	(1,3,5-triaza-7-phosphaadamantane)Au(saccharine)	at pH 7.5 and 25°C	Leishmania infantum
0.000068	-	[Au2(bipy)2(m-O)2](PF6)2	at pH 7.5 and 25°C	Leishmania infantum
0.000075	-	[Au((S)-4-iPr-2-(pyridin-2-yl)-4,5-dihydro-oxazole)Cl2][PF6]	at pH 7.5 and 25°C	Leishmania infantum
0.00009	-	Au(2-(2'-pyridyl)benzimidazole)Cl2	at pH 7.5 and 25°C	Leishmania infantum
0.00014	-	K[Au(saccharine)2]	at pH 7.5 and 25°C	Leishmania infantum
0.000155	-	auranofin	at pH 7.5 and 25°C	Leishmania infantum
0.00016	-	AuCl3	at pH 7.5 and 25°C	Leishmania infantum
0.000185	-	[Au((S)-4-Bn-2-(pyridin-2-yl)-4,5-dihydro-oxazole)Cl2][PF6]	at pH 7.5 and 25°C	Leishmania infantum
0.0002	-	K[Au(saccharine)4]	at pH 7.5 and 25°C	Leishmania infantum
0.025	-	Au-(N-(1-hydroxy-3-methylbutan-2-yl)pyridine-2-carboxamide)Cl	at pH 7.5 and 25°C	Leishmania infantum

IC50 Value

IC50 Value	IC50 Value Maximum	Comment	Organism	Inhibitor	Structure
0.0005	-	at pH 7.5 and 25°C	Leishmania infantum	auranofin
0.0006	-	at pH 7.5 and 25°C	Leishmania infantum	[Cl2AuIII(2-(2'-pyridyl)benzimidazole)AuI(PPh3)](PF6)
0.0014	-	at pH 7.5 and 25°C	Leishmania infantum	[Au((S)-4-iPr-2-(pyridin-2-yl)-4,5-dihydro-oxazole)Cl2][PF6]
0.00505	-	at pH 7.5 and 25°C	Leishmania infantum	[Au((S)-4-Bn-2-(pyridin-2-yl)-4,5-dihydro-oxazole)Cl2][PF6]
0.0061	-	at pH 7.5 and 25°C	Leishmania infantum	Au-(N-(1-hydroxy-3-methylbutan-2-yl)pyridine-2-carboxamide)Cl
0.0066	-	at pH 7.5 and 25°C	Leishmania infantum	Au(2-(2'-pyridyl)benzimidazole)Cl2
0.0085	-	at pH 7.5 and 25°C	Leishmania infantum	(1,3,5-triaza-7-phosphaadamantane)Au(saccharine)
0.0088	-	at pH 7.5 and 25°C	Leishmania infantum	[(2,2'-bipyridine)Au(OH)2][PF6]
0.0101	-	at pH 7.5 and 25°C	Leishmania infantum	AuCl3
0.0149	-	at pH 7.5 and 25°C	Leishmania infantum	K[Au(saccharine)4]
0.0228	-	at pH 7.5 and 25°C	Leishmania infantum	[Au2(bipy)2(m-O)2](PF6)2
0.0527	-	at pH 7.5 and 25°C	Leishmania infantum	K[Au(saccharine)2]

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Release 2023.1 (January 2023)