Quantitative structure activity relationships for the conversion of nitrobenzimidazolones and nitrobenzimidazoles by DT-diaphorase: implications for the kinetic mechanism.

Abstract:

:Quantitative 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.

journal_name

FEBS Lett

journal_title

FEBS letters

authors

Anusevicius Z,Soffers AE,Cénas N,Sarlauskas J,Segura-Aguilar J,Rietjens IM

doi

10.1016/s0014-5793(98)00456-6

subject

Has Abstract

pub_date

1998-05-15 00:00:00

pages

325-9

issue

3

eissn

0014-5793

issn

1873-3468

pii

S0014-5793(98)00456-6

journal_volume

427

pub_type

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