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蛋白质-RNA之间的相互作用是蛋白质在细胞里面行使功能的重要方式之一.结构生物学家利用实验手段可以得到蛋白质-RNA复合物的三维结构,通过原子水平的晶体结构来解释蛋白质与RNA的识别过程.但实验取得蛋白质-RNA的复合物结构非常困难,耗钱、耗时,同时受限于其相互作用强度.因而利用理论的方法对蛋白质-RNA相互作用界面进行预测与设计在生物医学研究中十分重要.本文主要综述了近期蛋白质-RNA相互作用界面预测与设计方面的进展,包括以下几个方面:(1)蛋白质-RNA分子对接算法以及对接前后存在的构象变化的处理;(2)蛋白质-RNA识别机制的研究;(3)基于蛋白质-RNA相互作用界面的分子设计.蛋白质-RNA分子对接算法逐步完善将有助于我们对大量未知功能的蛋白质与RNA进行功能注释,而基于生物大分子相互作用界面的分子设计将在药物设计领域中有广阔的应用前景.
Protein-RNA interactions are one of the most important ways for proteins to function in cells.Structural biologists use experimental means to derive the three-dimensional structure of protein-RNA complexes that explain the interaction between proteins and RNA through crystal structures at the atomic level However, the structure of protein-RNA complex obtained by experiments is very difficult, costly, time-consuming, and limited by the strength of its interaction, so the protein-RNA interaction interface is predicted and designed by theoretical methods. It is very important in medical research.In this paper, we reviewed the progress in the recent prediction and design of protein-RNA interaction interfaces, including the following aspects: (1) the docking of protein-RNA molecules and the conformational changes before and after docking; 2) Protein-RNA recognition mechanism; (3) Molecular design based on protein-RNA interaction interface The gradual improvement of the protein-RNA docking algorithm will help us to make a functional annotation of a large number of unknown proteins and RNAs Molecular design based on biological macromolecule interaction interface will have broad application in the field of drug design view.