Hoogsteen-based parallel-stranded duplexes of DNA.: Effect of 8-amino-purine derivatives

被引：35

作者：

Cubero, E

Aviñó, A

de la Torre, BG

Frieden, M

Eritja, R

Luque, FJ

González, C

Orozco, M

机构：

[1] CSIC, Inst Biol Mol Barcelona, ES-08034 Barcelona, Spain

[2] Univ Barcelona, Fac Quim, Dept Bioquim & Biol Mol, E-08028 Barcelona, Spain

[3] Cygene Spain SL Parc Cientif Barcelona, E-08028 Barcelona, Spain

[4] Univ Barcelona, Fac Farm, Dept Fisicoquim, E-08028 Barcelona, Spain

[5] CSIC, Inst Estructura Mat, E-28006 Madrid, Spain

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 2002年 / 124卷 / 12期

关键词：

D O I：

10.1021/ja011928+

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The structure of parallel-stranded duplexes of DNA-containing a mixture of guanines (G) and adenines (A) is studied by means of molecular dynamics (MD) simulation, as well as NMR and circular dichroism (CD) spectroscopy. Results demonstrate that the structure is based on the Hoogsteen motif rather than on the reverse Watson-Crick one. Molecular dynamics coupled to thermodynamic integration (MDM) calculations and melting experiments allowed us to determine the effect of 8-amino derivatives of A and G and of 8-amino-2'-deoxyinosine on the stability of parallel-stranded duplexes. The large stabilization of the parallel-stranded helix upon 8-amino substitution agrees with a Hoogsteen pairing, confirming MID, NMR, and CD data, and suggests new methods to obtain DNA triplexes for antigene and antisense purposes.

引用

页码：3133 / 3142

页数：10

共 78 条

[61] Molecular dynamics simulations in aqueous solution of triple helices containing d(G•C•C) trios [J].