Tuning supramolecular G-quadruplexes with mono- and divalent cations.
Supramol Chem
; 27(3): 174-180, 2015.
Article
in En
| MEDLINE
| ID: mdl-27708503
ABSTRACT
Supramolecular G-quadruplexes (SGQs) are formed via the cation promoted self-assembly of guanine derivatives into stacks of planar hydrogen-bonded tetramers. Here, we present results on the formation of SGQs made from the 8-(m-acetylphenyl)-2'-deoxyguanosine (mAGi) derivative in the presence of various mono- and divalent cations. NMR and HR ESI-MS data indicate that varying the cation can efficiently tune the molecularity, the fidelity and stability (thermal and kinetic) of the resulting SGQs. The results show that, parallel to the previously reported potassium-templated hexadecamer (mAGi16·3K+), Na+, Rb+ and [Formula see text] also promote the formation of similar supramolecules with high fidelity and molecularity. In contrast, the divalent cations Pb2+, Sr2+ and Ba2+ template the formation of octamers (mAGi8), with the latter two inducing higher thermal stabilities. Molecular dynamics simulations for the hexadecamers containing monovalent cations enabled critical insights that help explain the experimental observations.
Full text:
1
Collection:
01-internacional
Database:
MEDLINE
Language:
En
Journal:
Supramol Chem
Year:
2015
Document type:
Article
Affiliation country:
Puerto Rico