Structure and Dynamics of DNA and RNA Double Helices of CAG and GAC Trinucleotide Repeats.

ABSTRACT: CAG trinucleotide repeats are known to cause 10 late-onset progressive neurodegenerative disorders as the repeats expand beyond a threshold, whereas GAC repeats are associated with skeletal dysplasias and expand from the normal five to a maximum of seven repeats. The TR secondary structure is believed to play a role in CAG expansions. We have carried out free energy and molecular dynamics studies to determine the preferred conformations of the A-A noncanonical pairs in (CAG)_n and (GAC)_n trinucleotide repeats (n = 1, 4) and the consequent changes in the overall structure of the RNA and DNA duplexes. We find that the global free energy minimum corresponds to A-A pairs stacked inside the core of the helix with anti-anti conformations in RNA and (high-anti)-(high-anti) co

SUBMITTER: Pan F 

PROVIDER: S-EPMC5510815 | biostudies-literature | 2017 Jul

REPOSITORIES: biostudies-literature