RNA versus DNA G-Quadruplex: The Origin of Increased Stability.

ABSTRACT: DNA quadruplexes have been the subject of investigation because of their biological relevance and because of their potential application in supramolecular chemistry. Similarly, RNA quadruplexes are now gaining increasing attention. Although DNA and RNA quadruplexes are structurally very similar, the latter show higher stability. In this study we report dispersion-corrected density functional theory (DFT-D) quantum chemical calculations that were undertaken to understand the difference in stabilities of RNA and DNA quadruplexes. The smallest meaningful model of a stack of quartets, interacting with alkali metal cations, was simulated in an aqueous environment. The energy decomposition analysis allows for in-depth examination of the interaction energies, emphasising the role of noncovalent i

SUBMITTER: Zaccaria F 

PROVIDER: S-EPMC6282516 | biostudies-literature | 2018 Nov

REPOSITORIES: biostudies-literature