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

被引：10
作者：
Anusevicius, Z
Soffers, AEMF
Cénas, N
Sarlauskas, J
Segura-Aguilar, J
Rietjens, IMCM
机构：
[1] Wageningen Univ Agr, Dept Biomol Sci, Biochem Lab, NL-6703 HA Wageningen, Netherlands
[2] Lithuania Acad Sci, Inst Biochem, LT-2600 Vilnius, Lithuania
[3] Stockholm Univ, Dept Biochem, Biochem Toxicol Unit, Wallenberg Lab, S-10691 Stockholm, Sweden
来源：
FEBS LETTERS | 1998年 / 427卷 / 03期
关键词：
DT-diaphorase; nitrobenzimidazol(on)e; kinetic model; quantitative structure activity relationship; energy of lowest unoccupied molecular orbital;
D O I：
10.1016/S0014-5793(98)00456-6
中图分类号：
Q5 [生物化学]; Q7 [分子生物学];
学科分类号：
071010 ; 081704 ;
摘要：
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 k(cat), but also for the natural logarithm of k(cat)/K-m. 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. (C) 1998 Federation of European Biochemical Societies.
引用
收藏
页码：325 / 329
页数：5
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