Linear relationship between deformability and thermal stability of 2'-O-modified RNA hetero duplexes.

ABSTRACT: We describe the relationship between the experimentally determined melting temperatures of 2'-O-modified-RNA/RNA duplexes and their deformability estimated from molecular dynamics simulations. To clarify this relationship, we synthesized several fully modified oligoribonucleotides such as 2'-O-cyanoethyl RNAs and 2'-O-methoxyethyl RNAs and compared the actual melting temperatures of the duplexes with their calculated deformabilities. An increase of the melting temperatures by 2'-O-modifications was found to correlate strongly with an increase of the helical elastic constants in U(14)/A(14), (CU)(7)/(AG)(7), and (GACU)(3)/(AGUC)(3) sequences. Linear regression analyses could be used to estimate the melting temperature with an accuracy of +/-2.0 degrees C in our model case. Although the stro

SUBMITTER: Masaki Y 

PROVIDER: S-EPMC2825091 | biostudies-literature | 2010 Feb

REPOSITORIES: biostudies-literature