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Literature summary for 7.4.2.5 extracted from

  • Chaudhary, A.S.; Jin, J.; Chen, W.; Tai, P.C.; Wang, B.
    Design, syntheses and evaluation of 4-oxo-5-cyano thiouracils as SecA inhibitors (2015), Bioorg. Med. Chem., 23, 105-117.
    View publication on PubMed

Cloned(Commentary)

Cloned (Comment) Organism
expression of a truncated form of SecA lacking the C-terminal inhibitory domain Escherichia coli

Crystallization (Commentary)

Crystallization (Comment) Organism
molecular docking of inhibitor 2-((4-azidobenzyl)thio)-4-(4-(benzyloxy)phenyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile. The azido group points towards hydrophilic residues including A/Asp512, A/Arg509, A/Gly510 and A/Thr511. The torsion around the -CH2O- atoms between the two phenyl groups allows the terminal phenyl group to rest in a pocket away from the hydrophilic residues B/Thr511, B/Gly510 and B/Glu487. Most of the active inhibitors seem to bind at the interface of chains A and B Escherichia coli

Inhibitors

Inhibitors Comment Organism Structure
2-((4-azidobenzyl)thio)-4-(4-(benzyloxy)phenyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile good antimicrobial inhibition with MIC of 12.5 microM Escherichia coli
2-((4-azidobenzyl)thio)-6-oxo-4-(4-phenoxyphenyl)-1,6-dihydropyrimidine-5-carbonitrile good antimicrobial inhibition with MIC of 18.2 microM Escherichia coli

Organism

Organism UniProt Comment Textmining
Escherichia coli P10408
-
-

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.0022
-
37°C, pH not specified in the publication Escherichia coli 2-((4-azidobenzyl)thio)-6-oxo-4-(4-phenoxyphenyl)-1,6-dihydropyrimidine-5-carbonitrile
0.0024
-
37°C, pH not specified in the publication Escherichia coli 2-((4-azidobenzyl)thio)-4-(4-(benzyloxy)phenyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile