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Cover Picture: Charge is Major Determinant of Activation of the Ligand‐Responsive Multidrug Resistance Gene Regulator, BmrR (ChemMedChem 10/2016)
Author(s) -
Bachas Sharrol,
Kohrs Bryan,
Wade Herschel
Publication year - 2016
Publication title -
chemmedchem
Language(s) - English
Resource type - Reports
SCImago Journal Rank - 0.817
H-Index - 100
eISSN - 1860-7187
pISSN - 1860-7179
DOI - 10.1002/cmdc.201600215
Subject(s) - allosteric regulation , ligand (biochemistry) , chemistry , bacillus subtilis , regulator , multiple drug resistance , small molecule , cationic polymerization , stereochemistry , combinatorial chemistry , linker , biophysics , gene , biochemistry , bacteria , biology , genetics , receptor , organic chemistry , antibiotics , computer science , operating system
The front cover picture shows what are likely critical determinants of allosteric control in BmrR (transparent background), a multidrug resistance (MDR) gene regulator in Bacillus subtilis . Also shown are the cationic centers of docked drug molecules (blue sphere) and their proximity to four symmetrically disposed carboxylate residues (shown in the spherical representation) that surround the BmrR ligand‐binding pocket. In this study, a medium throughput in vitro transcription assay is employed to better inform allosteric activation of BmrR. Using cations, zwitterions, charge neutral compounds, and anions, we show that cationic charge is a major determinant. Many bacterial MDR systems are cation selective. We propose that ligand charge is potentially a factor in distinguishing native biological ligands from xenobiotics in bacterial cells. More information can be found in the Communication by Herschel Wade et al. on page 1038 in Issue 10, 2016 (DOI: 10.1002/cmdc.201600059).