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首页> 外文期刊>Biophysical Chemistry: An International Journal Devoted to the Physical Chemistry of Biological Phenomena >Influence of 5-bromodeoxycytosine substitution on triplex DNA stability and conformation.
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Influence of 5-bromodeoxycytosine substitution on triplex DNA stability and conformation.

机译：5-溴脱氧胞嘧啶取代对三链DNA稳定性和构象的影响。

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摘要

Three triple-helical hairpin DNAs with substitution of 5-bromocytosine for cytosine in different strands have been investigated by molecular mechanics and Raman spectroscopy. The stability of the three substituted triplexes were compared with the corresponding unsubstituted triplex DNA by the molecular mechanics method. Base stacking interactions and strand--strand interactions of each triplex were analyzed in detail. Sugar conformations in these triplexes have been determined by both vibrational spectroscopy and molecular dynamics simulation. The hairpin triplexes with substitution occurring in strand I or both in strands I and III have the main sugar conformation of C3'-endo, while the triplex with substitution occurring in strand III is the combination of C3'-endo and C2'-endo sugar conformation. Theoretical results are basically in agreement with experiments.
机译：通过分子力学和拉曼光谱研究了三个5-螺旋胞嘧啶取代三链胞嘧啶的三螺旋发夹DNA。通过分子力学方法将三个取代的三链体的稳定性与相应的未取代的三链体DNA进行了比较。详细分析了每个三链体的碱基堆积相互作用和链-链相互作用。这些三链体中的糖构象已经通过振动光谱法和分子动力学模拟确定。在链I中或在链I和III中均发生取代的发夹三链体具有C3'-endo的主要糖构象，而在链III中发生的具有取代的三链体是C3'-endo和C2'-endo糖的组合构象。理论结果与实验基本吻合。

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