Dataset Information
Interfacing medicinal chemistry with structural bioinformatics: implications for T box riboswitch RNA drug discovery.
Ontology highlight
ABSTRACT: Background
The T box riboswitch controls bacterial transcription by structurally responding to tRNA aminoacylation charging ratios. Knowledge of the thermodynamic stability difference between two competing structural elements within the riboswitch, the terminator and the antiterminator, is critical for effective T box-targeted drug discovery.Methods
The ?G of aminoacyl tRNA synthetase (aaRS) T box riboswitch terminators and antiterminators was predicted using DINAMelt and the resulting ??G (?G Terminator - ?G Antiterminator) values were compared.Results
Average ??G values did not differ significantly between the bacterial species analyzed, but there were significant differences based on the type of aaRS.Conclusions
The data indicate that, of the bacteria studied, there is little potential for drug targeting based on overall bacteria-specific thermodynamic differences of the T box antiterminator vs. terminator stability, but that aaRS-specific thermodynamic differences could possibly be exploited for designing drug specificity.
SUBMITTER: Jentzsch F
PROVIDER: S-EPMC3375634 | biostudies-literature | 2012 Mar
REPOSITORIES: biostudies-literature
Publications
Interfacing medicinal chemistry with structural bioinformatics: implications for T box riboswitch RNA drug discovery.
BMC bioinformatics 20120313
<h4>Background</h4>The T box riboswitch controls bacterial transcription by structurally responding to tRNA aminoacylation charging ratios. Knowledge of the thermodynamic stability difference between two competing structural elements within the riboswitch, the terminator and the antiterminator, is critical for effective T box-targeted drug discovery.<h4>Methods</h4>The ΔG of aminoacyl tRNA synthetase (aaRS) T box riboswitch terminators and antiterminators was predicted using DINAMelt and the res ...[more]
