Literature summary for 2.7.7.50 extracted from

Stahla-Beek, H.J.; April, D.G.; Saeedi, B.J.; Hannah, A.M.; Keenan, S.M.; Geiss, B.J.
Identification of a novel antiviral inhibitor of the flavivirus guanylyltransferase enzyme (2012), J. Virol., 86, 8730-8739.

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Inhibitors

Inhibitors	Comment	Organism	Structure
3-[(5Z)-5-(2,3-dichlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid	-	Dengue virus
3-[(5Z)-5-(2,3-dichlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid	-	Yellow fever virus
3-[(5Z)-5-(2,4-dichlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid	-	Dengue virus
3-[(5Z)-5-(2,4-dichlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid	-	Yellow fever virus
3-[(5Z)-5-(4-tert-butylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid	compound shows significant antiviral activity in a dengue virus subgenomic replicon assay and is able to reduce the replication of infectious West Nile virus and yellow fever virus in cell culture with low toxicity	Dengue virus
3-[(5Z)-5-(4-tert-butylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid	compound shows significant antiviral activity in a dengue virus subgenomic replicon assay and is able to reduce the replication of infectious West Nile virus and yellow fever virus in cell culture with low toxicity	Yellow fever virus
[(5Z)-4-oxo-5-(4-phenoxybenzylidene)-2-thioxo-1,3-thiazolidin-3-yl]acetic acid	-	Dengue virus
[(5Z)-4-oxo-5-(4-phenoxybenzylidene)-2-thioxo-1,3-thiazolidin-3-yl]acetic acid	-	Yellow fever virus
[(5Z)-5-(3,5-diiodo-2-methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid	-	Dengue virus
[(5Z)-5-(3,5-diiodo-2-methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid	-	Yellow fever virus
[(5Z)-5-[4-(benzyloxy)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid	-	Dengue virus
[(5Z)-5-[4-(benzyloxy)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid	-	Yellow fever virus

Organism

Organism	UniProt	Comment	Textmining
Dengue virus	P29990	viral polyprotein	-
Dengue virus 16681	P29990	viral polyprotein	-
Yellow fever virus	P03314	viral polyprotein	-

Ki Value [mM]

Ki Value [mM]	Ki Value maximum [mM]	Inhibitor	Comment	Organism	Structure
0.0015	-	[(5Z)-5-(3,5-diiodo-2-methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid	37°C, pH not specified in the publication	Dengue virus
0.0029	-	[(5Z)-5-[4-(benzyloxy)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid	37°C, pH not specified in the publication	Dengue virus
0.004	-	[(5Z)-4-oxo-5-(4-phenoxybenzylidene)-2-thioxo-1,3-thiazolidin-3-yl]acetic acid	37°C, pH not specified in the publication	Dengue virus
0.0044	-	[(5Z)-5-[4-(benzyloxy)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid	37°C, pH not specified in the publication	Yellow fever virus
0.0046	-	[(5Z)-5-(3,5-diiodo-2-methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid	37°C, pH not specified in the publication	Yellow fever virus
0.0075	-	3-[(5Z)-5-(4-tert-butylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid	37°C, pH not specified in the publication	Dengue virus
0.0077	-	[(5Z)-4-oxo-5-(4-phenoxybenzylidene)-2-thioxo-1,3-thiazolidin-3-yl]acetic acid	37°C, pH not specified in the publication	Yellow fever virus
0.009	-	3-[(5Z)-5-(2,4-dichlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid	37°C, pH not specified in the publication	Yellow fever virus
0.0095	-	3-[(5Z)-5-(4-tert-butylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid	37°C, pH not specified in the publication	Yellow fever virus
0.0098	-	3-[(5Z)-5-(2,4-dichlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid	37°C, pH not specified in the publication	Dengue virus
0.0099	-	3-[(5Z)-5-(2,3-dichlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid	37°C, pH not specified in the publication	Dengue virus
0.016	-	3-[(5Z)-5-(2,3-dichlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid	37°C, pH not specified in the publication	Yellow fever virus

IC50 Value

IC50 Value	IC50 Value Maximum	Comment	Organism	Inhibitor	Structure
0.0026	-	37°C, pH not specified in the publication	Yellow fever virus	3-[(5Z)-5-(2,4-dichlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid
0.0026	-	37°C, pH not specified in the publication	Dengue virus	3-[(5Z)-5-(2,4-dichlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid
0.0069	-	37°C, pH not specified in the publication	Yellow fever virus	[(5Z)-5-(3,5-diiodo-2-methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid
0.0069	-	37°C, pH not specified in the publication	Dengue virus	[(5Z)-5-(3,5-diiodo-2-methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid
0.0073	-	37°C, pH not specified in the publication	Yellow fever virus	3-[(5Z)-5-(4-tert-butylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid
0.0073	-	37°C, pH not specified in the publication	Dengue virus	3-[(5Z)-5-(4-tert-butylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid
0.0078	-	37°C, pH not specified in the publication	Yellow fever virus	[(5Z)-5-[4-(benzyloxy)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid
0.0078	-	37°C, pH not specified in the publication	Dengue virus	[(5Z)-5-[4-(benzyloxy)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid
0.0088	-	37°C, pH not specified in the publication	Yellow fever virus	[(5Z)-4-oxo-5-(4-phenoxybenzylidene)-2-thioxo-1,3-thiazolidin-3-yl]acetic acid
0.0088	-	37°C, pH not specified in the publication	Dengue virus	[(5Z)-4-oxo-5-(4-phenoxybenzylidene)-2-thioxo-1,3-thiazolidin-3-yl]acetic acid
0.1557	-	37°C, pH not specified in the publication	Yellow fever virus	3-[(5Z)-5-(2,3-dichlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid
0.1557	-	37°C, pH not specified in the publication	Dengue virus	3-[(5Z)-5-(2,3-dichlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid

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Release 2023.1 (January 2023)