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为了促进开发大肠杆菌快速检测适体生物传感器,通过对已知RNA-蛋白质相互作用原理和复合物结构的分析,在对相关文献资料和基于分子模拟技术的网络资源充分了解的基础上,模拟预测研究了随机RNA序列与肠致病性大肠杆菌紧密黏附素蛋白的相互作用。结果表明,RNA高级结构主要依赖于其一级结构的序列信息。NPDock模拟不同随机RNA序列与紧密黏附素相互作用时,不同长度RNA序列均可与紧密黏附素发生相互作用,但作用位点和相互位置有一定差异;对于相同长度不同排布的RNA序列,相互作用的差异性主要与序列排布信息有关。对于分子模拟研究RNA-紧密黏附素相互作用方法的可行性,通过RNA-蛋白质相互作用位点在线预测方法(PRIdictor)进行验证,结果表明,预测出的蛋白质、RNA相互作用位点均位于相互作用预测结构的接触面上,说明对于RNA-蛋白质相互作用的模拟预测研究方法具有一定的可行性,将有助于通过设计合成RNA改进适体筛选、研发的相关生物技术推广,以及应用创新。
In order to promote the rapid detection of E. coli biosensors, we analyzed the principle of RNA-protein interaction and the structure of the complex, and based on the full understanding of related literature and network resources based on molecular simulation, Interaction of random RNA sequences with enteropathogenic E. coli compactin was studied. The results show that the high-level structure of RNA mainly depends on the sequence information of its primary structure. When NPDock simulates the interaction of different random RNA sequences with compact adhesin, different lengths of RNA sequences can interact with compact adhesin, but there are some differences in the interaction sites and mutual positions. For RNA sequences with the same length and different arrangement, The role of the differences mainly associated with the sequence information. The feasibility of RNA-claudin interaction studies using molecular modeling has been demonstrated by the online prediction of RNA-protein interaction sites (PRIdictor). The results show that predicted protein-RNA interaction sites are located in the interaction The prediction of the structure of the contact surface, indicating that RNA-protein interaction simulation prediction method has a certain feasibility, will help to design and synthesis of RNA to improve aptamer screening, research and development related biotechnology promotion, and application innovation.