Interfacing medicinal chemistry with structural bioinformatics: implications for T box riboswitch RNA drug discovery.

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 ΔG of aminoacyl tRNA synthetase (aaRS) T box riboswitch terminators and antiterminators was predicted using DINAMelt and the resulting ΔΔG (ΔG Terminator - ΔG Antiterminator) values were compared.

Results

Average ΔΔG 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 stu

SUBMITTER: Jentzsch F 

PROVIDER: S-EPMC3375634 | biostudies-literature | 2012 Mar

REPOSITORIES: biostudies-literature