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Literature summary for 2.3.1.157 extracted from

  • Mehra, R.; Sharma, R.; Khan, I.; Nargotra, A.
    Identification and optimization of Escherichia coli GlmU inhibitors: An in silico approach with validation thereof (2014), Eur. J. Med. Chem., 92, 78-90.
    View publication on PubMed
Search for more literature for 2.3.1.157

Inhibitors

Inhibitors Comment Organism Structure
(2E)-4-[[2,4-dimethoxy-5-(10H-phenoxazin-10-ylsulfonyl)phenyl]amino]-4-oxobut-2-enoic acid
-
 Escherichia coli
1-[2,4-dimethoxy-5-(10H-phenoxazin-10-ylsulfonyl)phenylamino]-2-(4-pyridyl)-1-ethanone
-
 Escherichia coli
3-fluoro-N-[1-(2-methylpropanoyl)-1,2,3,4-tetrahydroquinolin-6-yl]benzenesulfonamide 0.1 mM, 83% inhibition of acetyltransferase activity of GlmU; 82.9% inhibition at 0.1 mM Escherichia coli
3-[(2,4-dimethoxyphenyl)amino]-4-phenylcyclobut-3-ene-1,2-dione 40.0% inhibition at 0.1 mM Escherichia coli
4-[[2,4-dimethoxy-5-(10H-phenoxazin-10-ylsulfonyl)phenyl]amino]-4-oxobutanoic acid
-
 Escherichia coli
5-(1,2-oxazol-5-yl)-N-(pyridin-3-ylmethyl)furan-2-sulfonamide 44.7% inhibition at 0.1 mM Escherichia coli
6-chloro-N-[3-(methylsulfanyl)phenyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide 0.1 mM, 69% inhibition of acetyltransferase activity of GlmU. Molecular dynamics simulation and binding site analysis; 68.7% inhibition at 0.1 mM Escherichia coli
ethyl (2-[(Z)-[2-(ethylsulfanyl)-5-oxo-1,3-thiazol-4(5H)-ylidene]methyl]phenoxy)acetate 45.3% inhibition at 0.1 mM Escherichia coli
additional information ligand- and structure-guided screening of a compound library for inhibitors selective for the enzyme's acetyltransferase activity, molecular docking and quantitative two- and three-dimensional structure-activity relationship modelling,, structure-function analysis, overview Escherichia coli
N-(2,5-dimethoxyphenyl)-N-(phenylsulfonyl)glycine 42.01% inhibition at 0.1 mM Escherichia coli
N-(3-chlorophenyl)-2-methoxy-5-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide 406% inhibition at 0.1 mM Escherichia coli
N-(5-chloro-2-methoxyphenyl)-N-(phenylsulfonyl)glycine 45.15% inhibition at 0.1 mM Escherichia coli

Natural Substrates/ Products (Substrates)

Natural Substrates Organism Comment (Nat. Sub.) Natural Products Comment (Nat. Pro.) Rev. Reac.
acetyl-CoA + alpha-D-glucosamine 1-phosphate Escherichia coli
-
 CoA + N-acetyl-alpha-D-glucosamine 1-phosphate
-
 ?
acetyl-CoA + alpha-D-glucosamine 1-phosphate Escherichia coli ATCC 25922
-
 CoA + N-acetyl-alpha-D-glucosamine 1-phosphate
-
 ?

Organism

Organism UniProt Comment Textmining
Escherichia coli
-
-
-
Escherichia coli P0ACC7 Escherichia coli K-12
-
Escherichia coli ATCC 25922 P0ACC7 Escherichia coli K-12
-

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
acetyl-CoA + alpha-D-glucosamine 1-phosphate
-
 Escherichia coli CoA + N-acetyl-alpha-D-glucosamine 1-phosphate
-
 ?
acetyl-CoA + alpha-D-glucosamine 1-phosphate
-
 Escherichia coli ATCC 25922 CoA + N-acetyl-alpha-D-glucosamine 1-phosphate
-
 ?

Temperature Optimum [°C]

Temperature Optimum [°C] Temperature Optimum Maximum [°C] Comment Organism
30
-
 assay at Escherichia coli

pH Optimum

pH Optimum Minimum pH Optimum Maximum Comment Organism
7.6
-
 assay at Escherichia coli

Cofactor

Cofactor Comment Organism Structure
acetyl-CoA
-
 Escherichia coli

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.00001
-
 pH 7.6, 30°C, recombinant His6-tagged enzyme Escherichia coli 4-[[2,4-dimethoxy-5-(10H-phenoxazin-10-ylsulfonyl)phenyl]amino]-4-oxobutanoic acid
0.00001
-
 pH 7.6, 30°C, recombinant His6-tagged enzyme Escherichia coli (2E)-4-[[2,4-dimethoxy-5-(10H-phenoxazin-10-ylsulfonyl)phenyl]amino]-4-oxobut-2-enoic acid