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Theoretical Studies on the Folding Mechanisms for Different DNA G-quadruplexes
Wu, Xue1; Xu, Peijun2; Wang, Jinguang3; Xu, Yong4; Fu, Ting1; Zhao, Meixia2; Zhang, Depeng2; Liu, Jiahui2; Shen, Hujun1; Xiu, Zhilong5; Li, Guohui1; Wei, D; Xu, Q; Zhao, T; Dai, H
关键词G-quadruplex Go-model Fold
刊名ADVANCE IN STRUCTURAL BIOINFORMATICS
2015
DOI10.1007/978-94-017-9245-5_10
827页:123-141
收录类别BSCI ; SCI
文章类型Article
WOS标题词Science & Technology ; Life Sciences & Biomedicine
类目[WOS]Mathematical & Computational Biology ; Medical Informatics
研究领域[WOS]Mathematical & Computational Biology ; Medical Informatics
关键词[WOS]HUMAN TELOMERIC DNA ; K+ SOLUTION ; CRYSTAL-STRUCTURE ; HELIX FORMATION ; BIOLOGY ; BINDING ; SIMULATIONS ; FRUSTRATION ; TETRAPLEX ; PATHWAYS
英文摘要The G-quadruplex DNA formed by the stack of guanines in human telomere sequence is a promising anticancer target. In this study we used the energy landscape theory to elucidate the folding mechanisms for the thrombin aptamer, Form 1 and Form 3 G-quadruplexes. The three G-quadruplexes were simulated with all-atom Go-model. Results show that, the three G-quadruplexes fold through a two-state mechanism. In the initial stage of the folding process, the compact structures are formed. The G-quadruplexes need to form G-triplex structures on the basis of the compact structures before folding to the native states. The folding free energy barrier of Form 3 G-quadruplex is higher than thrombin aptamer and Form 1, which shows that the structure of Form 3 G-quadruplex has more stability than the other two G-quadruplexes.
语种英语
WOS记录号WOS:000350428600011
引用统计
文献类型期刊论文
条目标识符http://cas-ir.dicp.ac.cn/handle/321008/146027
专题中国科学院大连化学物理研究所
作者单位1.Chinese Acad Sci, Dalian Inst Chem Phys, Lab Mol Modeling & Design, State Key Lab Mol React Dynam, Dalian, Liaoning, Peoples R China
2.Liaoning Normal Univ, Sch Phys & Elect Technol, Dalian, Liaoning, Peoples R China
3.Dalian Med Univ, Affiliated Hosp 1, Dalian, Peoples R China
4.Guangzhou Inst Biomed & Hlth, Guangzhou, Guangdong, Peoples R China
5.Dalian Univ Technol, Sch Life Sci & Technol, Dalian, Peoples R China
推荐引用方式
GB/T 7714
Wu, Xue,Xu, Peijun,Wang, Jinguang,et al. Theoretical Studies on the Folding Mechanisms for Different DNA G-quadruplexes[J]. ADVANCE IN STRUCTURAL BIOINFORMATICS,2015,827:123-141.
APA Wu, Xue.,Xu, Peijun.,Wang, Jinguang.,Xu, Yong.,Fu, Ting.,...&Dai, H.(2015).Theoretical Studies on the Folding Mechanisms for Different DNA G-quadruplexes.ADVANCE IN STRUCTURAL BIOINFORMATICS,827,123-141.
MLA Wu, Xue,et al."Theoretical Studies on the Folding Mechanisms for Different DNA G-quadruplexes".ADVANCE IN STRUCTURAL BIOINFORMATICS 827(2015):123-141.
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