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Literature summary for 2.4.2.4 extracted from

  • Shahzad, S.A.; Yar, M.; Khan, Z.A.; Shahzadi, L.; Naqvi, S.A.R.; Mahmood, A.; Ullah, S.; Shaikh, A.J.; Sherazi, T.A.; Bale, A.T.; Kukulowicz, J.; Bajda, M.
    Identification of 1,2,4-triazoles as new thymidine phosphorylase inhibitors future anti-tumor drugs (2019), Bioorg. Chem., 85, 209-220 .
    View publication on PubMed

Inhibitors

Inhibitors Comment Organism Structure
2-[(5-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio]acetic acid
-
Escherichia coli
2-[(5-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio]propanoic acid
-
Escherichia coli
2-[(5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio]acetic acid the angiogenic response of 4d is estimated using the chick chorionic allantoic membrane (CAM) assay Escherichia coli
2-[(5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio]propanoic acid
-
Escherichia coli
2-[(5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl)thio]acetic acid
-
Escherichia coli
2-[(5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl)thio]acetic acid
-
Escherichia coli
4,5-diphenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
-
Escherichia coli
5-(3-chlorophenyl)-4H-1,2,4-triazole-3-thiol
-
Escherichia coli
5-(3-pyridyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
-
Escherichia coli
5-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiol
-
Escherichia coli
5-(4-pyridyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione binding mode, modeling Escherichia coli
7-deazaxanthine
-
Escherichia coli
KIN59
-
Escherichia coli
additional information synthesis of 1,2,4-triazoles as thymidine phosphorylase inhibitors and possible future anti-tumor drugs for treatment of human disease. Molecular docking study. Cytoxicity study. No inhibition by 5-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol, 5-(4-nitrophenyl)- 4H-1,2,4-triazole-3-thiol, 5-(4-methylphenyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione, 5-(3,4,5-trimethoxyphenyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione, 5-(3-chlorophenyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione, 5-(4-chlorophenyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione, and 2-[(5-phenyl-4H-1,2,4-triazol-3-yl)thio]acetic acid Escherichia coli

Natural Substrates/ Products (Substrates)

Natural Substrates Organism Comment (Nat. Sub.) Natural Products Comment (Nat. Pro.) Rev. Reac.
thymine + 2-deoxy-alpha-D-ribose 1-phosphate Escherichia coli
-
thymidine + phosphate
-
r

Organism

Organism UniProt Comment Textmining
Escherichia coli P0C037
-
-

Source Tissue

Source Tissue Comment Organism Textmining
commercial preparation
-
Escherichia coli
-

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
thymine + 2-deoxy-alpha-D-ribose 1-phosphate
-
Escherichia coli thymidine + phosphate
-
r

Temperature Optimum [°C]

Temperature Optimum [°C] Temperature Optimum Maximum [°C] Comment Organism
25
-
assay at Escherichia coli

pH Optimum

pH Optimum Minimum pH Optimum Maximum Comment Organism
7.4
-
assay at Escherichia coli

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.03868
-
pH 7.4, 25°C Escherichia coli 7-deazaxanthine
0.0439
-
pH 7.4, 25°C Escherichia coli 2-[(5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio]acetic acid
0.062
-
pH 7.4, 25°C Escherichia coli 5-(3-chlorophenyl)-4H-1,2,4-triazole-3-thiol
0.0645
-
pH 7.4, 25°C Escherichia coli 2-[(5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl)thio]acetic acid
0.0823
-
pH 7.4, 25°C Escherichia coli 5-(4-pyridyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
0.0946
-
pH 7.4, 25°C Escherichia coli 2-[(5-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio]propanoic acid
0.1123
-
pH 7.4, 25°C Escherichia coli 5-(3-pyridyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
0.1438
-
pH 7.4, 25°C Escherichia coli 2-[(5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl)thio]acetic acid
0.1634
-
pH 7.4, 25°C Escherichia coli 2-[(5-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio]acetic acid
0.1876
-
pH 7.4, 25°C Escherichia coli 5-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiol
0.2206
-
pH 7.4, 25°C Escherichia coli 2-[(5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio]propanoic acid
0.2734
-
pH 7.4, 25°C Escherichia coli 4,5-diphenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione