Zhang Qin, Yang Lixia, Wang Kaicheng, Guo Lianghao, Ning Hui, Wang Shaomeng, Gong Yubin
School of Electronic Science and Engineering, University of Electronic Science and Technology of China, Chengdu, Sichuan 611731, China.
School of Physics, University of Electronic Science and Technology of China, Chengdu, Sichuan 611731, China.
iScience. 2023 Aug 9;26(9):107572. doi: 10.1016/j.isci.2023.107572. eCollection 2023 Sep 15.
Intermolecular interactions, including hydrogen bonds, dominate the pairing and unpairing of nucleic acid chains in the transfer process of genetic information. The energy of THz waves just matches with the weak interactions, so THz waves may interact with biomolecules. Here, the dynamic effects of THz electromagnetic (EM) waves on the mechanical unfolding process of RNA hairpins (WT-30nt and its mutants, rHP, SARS-CoV-2, and SRV-1 SF206) are investigated using steered molecular dynamics (SMD) simulations. The results show that THz waves can either promote the unfolding of the double helix of the RNA hairpin during the initial unfolding phase (4-21.8 THz) or significantly enhance (23.8 and 25.5 THz) or weaken (37.4 and 41.2 THz) its structural stability during unfolding. Our findings have important implications for applying THz waves to regulate dynamic deconvolution processes, such as gene replication, transcription, and translation.
包括氢键在内的分子间相互作用在遗传信息传递过程中主导着核酸链的配对和解链。太赫兹波的能量恰好与这些弱相互作用相匹配,因此太赫兹波可能与生物分子发生相互作用。在此,利用定向分子动力学(SMD)模拟研究了太赫兹电磁波对RNA发夹(WT-30nt及其突变体、rHP、SARS-CoV-2和SRV-1 SF206)机械解折叠过程的动态影响。结果表明,太赫兹波在初始解折叠阶段(4-21.8太赫兹)既能促进RNA发夹双螺旋的解折叠,也能在解折叠过程中显著增强(23.8和25.5太赫兹)或削弱(37.4和41.2太赫兹)其结构稳定性。我们的研究结果对于应用太赫兹波调节动态反卷积过程,如基因复制、转录和翻译具有重要意义。