Structural and energetic heterogeneities of canonical and oxidized central guanine triad of B-DNA telomeric fragments

被引:5
作者
Cysewski, Piotr [1 ]
Czelen, Przemyslaw [1 ]
机构
[1] Nicholas Copernicus Univ, Dept Phys Chem, Collegium Medicum, PL-85950 Bydgoszcz, Poland
关键词
GGG triad; Oxidative damage; 8-oxo-guanine; Stacking; Telomers; AB-INITIO CALCULATIONS; BASE-STACKING; OXIDATIVE STRESS; TRF1; ENERGIES; DYNAMICS; PAIRS; RECOGNITION; FIBROBLASTS; MAINTENANCE;
D O I
10.1007/s00894-008-0438-1
中图分类号
Q5 [生物化学]; Q7 [分子生物学];
学科分类号
071010 ; 081704 ;
摘要
The intermolecular interaction energies in central guanine triad of telomeric B-DNA were estimated based on ab initio quantum chemistry calculations on the MP2/aDZ level of theory. The source of structural information was molecular dynamics simulation of both canonical (AGGGTT) and oxidized (AG8oxoGGTT) telomere units. Our calculations demonstrate that significant stiffness of central triad occurs if 8oxoG is present. The origin of such feature is mainly due to the increase of stacking interactions of 8oxoG with neighbouring guanine molecules and stronger hydrogen bonding formation of 8oxoG with cytosine if compared with canonical guanine. Another interesting observation is the context independence of stacking interactions of 8oxoG. Unlike to 5'-G(2)/G(3)-3' and 5'-G(3)/G(4)-3' sequences which are energetically different, 5'-G(2)/8oxoG(3)-3' and 5'-8oxoG(3)/G(4)-3' sequences are almost iso-energetic.
引用
收藏
页码:607 / 613
页数:7
相关论文
共 43 条