Open AccessQuantitative structure–activity relationship (QSAR) analysis of aromatic effector specificity in NtrC‐like transcriptional activators from aromatic oxidizing bacteria
Author(s) -
Park Joonhong,
Malinverni Juliana,
Adriaens Peter,
Kukor Jerome J
Publication year - 2003
Publication title -
fems microbiology letters
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.899
H-Index - 151
eISSN - 1574-6968
pISSN - 0378-1097
DOI - 10.1016/s0378-1097(03)00400-2
Subject(s) - effector , quantitative structure–activity relationship , steric effects , regulator , operon , biology , chemistry , stereochemistry , biochemistry , computational biology , escherichia coli , gene
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.