12 research outputs found
Quantitative structure/activity relationships for the conversion of nitrobenzimidazolones and nitrobenzimidazoles by DT-diaphorase: implications for the kinetic mechanism.
Get PDFAbstractQuantitative structure activity relationships (QSARs) for the conversion of nitrobenzimidazolones and nitrobenzimidazoles by rat liver DT-diaphorase (EC 1.6.99.2) are described. The parameter used for description of the QSARs is the energy of the lowest unoccupied molecular orbital (E(LUMO)) of the nitroaromatic compounds. Interestingly, correlations with E(LUMO) were observed for both the natural logarithm of kcat, but also for the natural logarithm of kcat/Km. The minimal kinetic model in line with these QSARs is a ping-pong mechanism that includes a substrate binding equilibrium in the second half reaction
Reduction of nitroaromatic explosives by oxygen-insensitive NAD(P)H:nitroreductases: implications for their cytotoxicity and biodegradation
No full textOptimization of the Process Parameters for the Synthesis of High Purity 4,6âDinitrobenzofuroxan (4,6âDNBF)
No full textTheoretical and experimental reinvestigation of methoxide ion reaction with 7-methyl 4-nitro benzofuroxan
No full textComparative modeling of improved synthesis of energetic dinitrobenzofuroxan (DNBF) derivatives
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NAD(P)H quinone oxidoreductase (NQO1): an enzyme which needs just enough mobility, in just the right places
No full textComparative toxicogenomics of three insensitive munitions constituents 2,4-dinitroanisole, nitroguanidine and nitrotriazolone in the soil nematode Caenorhabditis elegans
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