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Literature summary extracted from

  • Taha, M.; Ismail, N.H.; Imran, S.; Rahim, F.; Wadood, A.; Al Muqarrabun, L.M.; Khan, K.M.; Ghufran, M.; Ali, M.
    In silico binding analysis and SAR elucidations of newly designed benzopyrazine analogs as potent inhibitors of thymidine phosphorylase (2016), Bioorg. Chem., 68, 80-89 .
    View publication on PubMed

Inhibitors

EC Number Inhibitors Comment Organism Structure
2.4.2.4 (E)-2-((2-(quinoxalin-2-yl)hydrazono)methyl)benzene-1,4-diol
-
 Escherichia coli
2.4.2.4 (E)-2-(2-(2-chlorobenzylidene)hydrazinyl)quinoxaline
-
 Escherichia coli
2.4.2.4 (E)-2-(2-(2-fluorobenzylidene)hydrazinyl)quinoxaline
-
 Escherichia coli
2.4.2.4 (E)-2-(2-(3-chlorobenzylidene)hydrazinyl)quinoxaline
-
 Escherichia coli
2.4.2.4 (E)-2-(2-(3-fluorobenzylidene)hydrazinyl)quinoxaline
-
 Escherichia coli
2.4.2.4 (E)-2-(2-(4-fluorobenzylidene)hydrazinyl)quinoxaline
-
 Escherichia coli
2.4.2.4 (E)-3-((2-(quinoxalin-2-yl)hydrazono)methyl)benzene-1,2-diol
-
 Escherichia coli
2.4.2.4 (E)-3-((2-(quinoxalin-2-yl)hydrazono)methyl)phenol
-
 Escherichia coli
2.4.2.4 (E)-4-((2-(quinoxalin-2-yl)hydrazono)methyl)benzene-1,2-diol
-
 Escherichia coli
2.4.2.4 (E)-4-((2-(quinoxalin-2-yl)hydrazono)methyl)benzene-1,3-diol
-
 Escherichia coli
2.4.2.4 (E)-4-((2-(quinoxalin-2-yl)hydrazono)methyl)phenol
-
 Escherichia coli
2.4.2.4 (E)-4-methoxy-2-((2-(quinoxalin-2-yl)hydrazono)methyl)phenol
-
 Escherichia coli
2.4.2.4 (E)-5-((2-(quinoxalin-2-yl)hydrazono)methyl)benzene-1,2,4-triol
-
 Escherichia coli
2.4.2.4 (E)-5-((2-(quinoxalin-2-yl)hydrazono)methyl)benzene-2,4,6-triol
-
 Escherichia coli
2.4.2.4 7-deazaxanthine docking conformation of the standard inhibitor in the active site of thymidine phosphorylase, modeling, overview. Modeling of the three-dimensional structures of piperazine derivatives Escherichia coli
2.4.2.4 additional information design of benzopyrazine analogues as potent inhibitors of thymidine phosphorylase, synthesis of quinoxaline derivatives, overview. No inhibition by (E)-2-(2-(2-nitrobenzylidene)hydrazinyl)quinoxaline, (E)-2-(2-(4-nitrobenzylidene)hydrazinyl)quinoxaline, (E)-2-(2-(2-methylbenzylidene)hydrazinyl)quinoxaline, (E)-2-(2-(3-methylbenzylidene)hydrazinyl)quinoxaline, (E)-2-(2-(4-methylbenzylidene)hydrazinyl)quinoxaline, (E)-5-methoxy-2-((2-(quinoxalin-2-yl)hydrazono)methyl)phenol, (E)-2-methoxy-5-((2-(quinoxalin-2-yl)hydrazono)methyl)phenol, (E)-2-(2-(3-methoxybenzylidene)hydrazinyl)quinoxaline, (E)-2-(2-(4-methoxybenzylidene)hydrazinyl)quinoxaline, (E)-2-(2-(pyridin-3-ylmethylene)hydrazinyl)quinoxaline, (E)-2-(2-(pyridin-4-ylmethylene)hydrazinyl)quinoxaline, (E)-2-(2-((1H-indol-3-yl)methylene)hydrazinyl)quinoxaline, and (E)-2-((2-(quinoxalin-2-yl)hydrazono)methyl)phenol Escherichia coli

Natural Substrates/ Products (Substrates)

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

Organism

EC Number Organism UniProt Comment Textmining
2.4.2.4 Escherichia coli
-
-
-

Source Tissue

EC Number Source Tissue Comment Organism Textmining
2.4.2.4 commercial preparation
-
 Escherichia coli
-

Substrates and Products (Substrate)

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

Temperature Optimum [°C]

EC Number Temperature Optimum [°C] Temperature Optimum Maximum [°C] Comment Organism
2.4.2.4 25
-
 assay at Escherichia coli

pH Optimum

EC Number pH Optimum Minimum pH Optimum Maximum Comment Organism
2.4.2.4 7.4
-
 assay at Escherichia coli

IC50 Value

EC Number IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
2.4.2.4 0.0032
-
 pH 7.4, 25°C Escherichia coli (E)-2-((2-(quinoxalin-2-yl)hydrazono)methyl)benzene-1,4-diol
2.4.2.4 0.0086
-
 pH 7.4, 25°C Escherichia coli (E)-4-((2-(quinoxalin-2-yl)hydrazono)methyl)benzene-1,3-diol
2.4.2.4 0.0091
-
 pH 7.4, 25°C Escherichia coli (E)-4-((2-(quinoxalin-2-yl)hydrazono)methyl)benzene-1,2-diol
2.4.2.4 0.0334
-
 pH 7.4, 25°C Escherichia coli (E)-4-((2-(quinoxalin-2-yl)hydrazono)methyl)phenol
2.4.2.4 0.0336
-
 pH 7.4, 25°C Escherichia coli (E)-2-(2-(2-fluorobenzylidene)hydrazinyl)quinoxaline
2.4.2.4 0.0344
-
 pH 7.4, 25°C Escherichia coli (E)-5-((2-(quinoxalin-2-yl)hydrazono)methyl)benzene-1,2,4-triol
2.4.2.4 0.0355
-
 pH 7.4, 25°C Escherichia coli (E)-3-((2-(quinoxalin-2-yl)hydrazono)methyl)benzene-1,2-diol
2.4.2.4 0.0363
-
 pH 7.4, 25°C Escherichia coli (E)-4-methoxy-2-((2-(quinoxalin-2-yl)hydrazono)methyl)phenol
2.4.2.4 0.0376
-
 pH 7.4, 25°C Escherichia coli (E)-2-(2-(2-chlorobenzylidene)hydrazinyl)quinoxaline
2.4.2.4 0.0469
-
 pH 7.4, 25°C Escherichia coli (E)-5-((2-(quinoxalin-2-yl)hydrazono)methyl)benzene-2,4,6-triol
2.4.2.4 0.0581
-
 pH 7.4, 25°C Escherichia coli (E)-2-(2-(4-fluorobenzylidene)hydrazinyl)quinoxaline
2.4.2.4 0.0632
-
 pH 7.4, 25°C Escherichia coli (E)-3-((2-(quinoxalin-2-yl)hydrazono)methyl)phenol
2.4.2.4 0.0661
-
 pH 7.4, 25°C Escherichia coli (E)-2-(2-(3-fluorobenzylidene)hydrazinyl)quinoxaline
2.4.2.4 0.0734
-
 pH 7.4, 25°C Escherichia coli (E)-2-(2-(3-chlorobenzylidene)hydrazinyl)quinoxaline
2.4.2.4 0.0935
-
 pH 7.4, 25°C Escherichia coli (E)-2-(2-(3-chlorobenzylidene)hydrazinyl)quinoxaline