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Literature summary extracted from

  • Guzman, J.D.; Wube, A.; Evangelopoulos, D.; Gupta, A.; Huefner, A.; Basavannacharya, C.; Rahman, M.M.; Thomaschitz, C.; Bauer, R.; McHugh, T.D.; Nobeli, I.; Prieto, J.M.; Gibbons, S.; Bucar, F.; Bhakta, S.
    Interaction of N-methyl-2-alkenyl-4-quinolones with ATP-dependent MurE ligase of Mycobacterium tuberculosis: antibacterial activity, molecular docking and inhibition kinetics (2011), J. Antimicrob. Chemother., 66, 1766-1772.
    View publication on PubMedView publication on EuropePMC

Crystallization (Commentary)

EC Number Crystallization (Comment) Organism
6.3.2.13 computational docking of inhibitors to crystal structure. Uracil recognition site is a probable binding site for quinolone inhibitors Mycobacterium tuberculosis

Inhibitors

EC Number Inhibitors Comment Organism Structure
6.3.2.13 1-methyl-2-[(4Z)-tetradec-4-en-1-yl]quinolin-4(1H)-one inhibitory to enzyme and growth inhibitor of Mycobacterium tuberculosis and rapid-growing mycobacteria Mycobacterium tuberculosis
6.3.2.13 1-methyl-2-[(5Z)-tetradec-5-en-1-yl]quinolin-4(1H)-one inhibitory to enzyme and growth inhibitor of Mycobacterium tuberculosis and rapid-growing mycobacteria Mycobacterium tuberculosis
6.3.2.13 2-[(1E)-dec-1-en-1-yl]-1-methylquinolin-4(1H)-one inhibitory to enzyme and growth inhibitor of Mycobacterium tuberculosis and rapid-growing mycobacteria Mycobacterium tuberculosis
6.3.2.13 2-[(1E)-dodec-1-en-1-yl]-1-methylquinolin-4(1H)-one inhibitory to enzyme and growth inhibitor of Mycobacterium tuberculosis and rapid-growing mycobacteria Mycobacterium tuberculosis
6.3.2.13 2-[(1E)-tridec-1-en-1-yl]-1-methylquinolin-4(1H)-one inhibitory to enzyme and growth inhibitor of Mycobacterium tuberculosis and rapid-growing mycobacteria Mycobacterium tuberculosis

Organism

EC Number Organism UniProt Comment Textmining
6.3.2.13 Mycobacterium tuberculosis
-
-
-

Substrates and Products (Substrate)

EC Number Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
6.3.2.13 UDP-N-acetylmuramoyl-L-alanyl-D-glutamate + ATP + meso-diaminopimelic acid
-
Mycobacterium tuberculosis ADP + phosphate + UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-diaminopimelic acid
-
?

IC50 Value

EC Number IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
6.3.2.13 0.036
-
phosphate-based method, pH 8.5, 37°C Mycobacterium tuberculosis 1-methyl-2-[(5Z)-tetradec-5-en-1-yl]quinolin-4(1H)-one
6.3.2.13 0.052
-
phosphate-based method, pH 8.5, 37°C Mycobacterium tuberculosis 1-methyl-2-[(4Z)-tetradec-4-en-1-yl]quinolin-4(1H)-one
6.3.2.13 0.052
-
phosphate-based method, pH 8.5, 37°C Mycobacterium tuberculosis 2-[(1E)-tridec-1-en-1-yl]-1-methylquinolin-4(1H)-one
6.3.2.13 0.07
-
phosphate-based method, pH 8.5, 37°C Mycobacterium tuberculosis 2-[(1E)-dec-1-en-1-yl]-1-methylquinolin-4(1H)-one
6.3.2.13 0.072
-
phosphate-based method, pH 8.5, 37°C Mycobacterium tuberculosis 2-[(1E)-dodec-1-en-1-yl]-1-methylquinolin-4(1H)-one
6.3.2.13 0.095
-
HPLC method, pH 8.5, 37°C Mycobacterium tuberculosis 1-methyl-2-[(5Z)-tetradec-5-en-1-yl]quinolin-4(1H)-one
6.3.2.13 0.14
-
HPLC method, pH 8.5, 37°C Mycobacterium tuberculosis 2-[(1E)-tridec-1-en-1-yl]-1-methylquinolin-4(1H)-one
6.3.2.13 0.159
-
HPLC method, pH 8.5, 37°C Mycobacterium tuberculosis 1-methyl-2-[(4Z)-tetradec-4-en-1-yl]quinolin-4(1H)-one
6.3.2.13 0.187
-
HPLC method, pH 8.5, 37°C Mycobacterium tuberculosis 2-[(1E)-dodec-1-en-1-yl]-1-methylquinolin-4(1H)-one
6.3.2.13 0.207
-
HPLC method, pH 8.5, 37°C Mycobacterium tuberculosis 2-[(1E)-dec-1-en-1-yl]-1-methylquinolin-4(1H)-one