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PNA(T).DNA(AT) triplexes with Hoogsteen base pairing are more favorable

机译:具有Hoogsteen碱基配对的PNA(T).DNA(AT)三元组更有利

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摘要

Peptide nucleic acids (PNAs) are nucleic acid analogs with the deoxyribose phosphate backbone replaced by pseudo-peptide polymers to which the nucleobases are linked. The achiral, uncharged and rather flexible properties of the peptide backbone permit peptide nucleic acids more potential than oligonucleotides in application to antisence and antigenic reagents. The process of PNA binding to DNA duplex and forming triplex is the first step of PNA interacting with PNA. But there are no PNA.2DNA triplex crystal data up to date and little has been reported on the structure features and the force of the PNA.2DNA triplex. In this work, PNA(T).DNA(AT) triplexes are successfully built and the structures and forces to stabilize the triplex after optimizations and molecule dynamics are systematically examined, which are expected to aid in the application of PNAs as anti-cense and antigene agents.
机译:肽核酸(PNA)是核酸类似物,其脱氧核糖磷酸酯主链被核碱基连接的伪肽聚合物取代。肽主链的非手性,不带电荷且相当灵活的特性使肽核酸在寡核苷酸和抗原性试剂中的应用潜力比寡核苷酸更大。 PNA与DNA双链体结合并形成三链体的过程是PNA与PNA相互作用的第一步。但是目前尚无PNA.2DNA三链体晶体数据,关于PNA.2DNA三链体的结构特征和作用力的报道很少。在这项工作中,成功构建了PNA(T).DNA(AT)三链体,并系统地研究了优化和分子动力学后稳定三链体的结构和作用力,有望有助于PNA作为反义和反义分子的应用。抗原剂。

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