Park Joonhong, Malinverni Juliana, Adriaens Peter, Kukor Jerome J
Center for Microbial Ecology, Michigan State University, A528 PSS Building, East Lansing, MI 48824, USA.
FEMS Microbiol Lett. 2003 Jul 15;224(1):45-52. doi: 10.1016/S0378-1097(03)00400-2.
A quantitative structure-activity relationship (QSAR) approach was taken to provide mechanistic insights into the interaction between the chemical structure of inducing compounds and the transcriptional activation of aromatic monooxygenase operons among the XylR/DmpR subclass of bacterial NtrC-like transcriptional regulators. Compared to XylR and DmpR, a broader spectrum of effector compounds was observed for the TbuT system from Ralstonia pickettii PKO1. The results of QSAR analysis for TbuT suggested that a steric effect, rather than hydrophobic or electronic effects, may be the predominant factor in determining aromatic effector specificity, and the active site of the regulator may positively interact not only with the methyl moiety but also with the most electron-rich aryl side of an aromatic effector.
采用定量构效关系（QSAR）方法，以深入了解诱导化合物的化学结构与细菌NtrC样转录调节因子XylR/DmpR亚类中芳香单加氧酶操纵子的转录激活之间的相互作用机制。与XylR和DmpR相比，观察到来自皮氏罗尔斯通氏菌PKO1的TbuT系统具有更广泛的效应化合物谱。对TbuT的QSAR分析结果表明，空间效应而非疏水或电子效应可能是决定芳香效应物特异性的主要因素，并且调节因子的活性位点可能不仅与甲基部分发生正向相互作用，还与芳香效应物中电子密度最高的芳基侧链发生正向相互作用。
