Structure-alignment-driven cross-graph modeling for functional RNA design

doi:10.1038/s43588-026-01029-2

2026-07-30

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DOI：10.1038/s43588-026-01029-2

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RNA在生物过程中至关重要，其功能与其三维结构密切相关。设计能够折叠成目标三维结构的RNA序列是一项复杂挑战，因为RNA结构具有动态和不稳定特性。本文提出了一种RNA设计方法AlignIF，该方法利用多重结构比对与交叉图建模，并结合精心设计的特征来捕获结构层面的进化保守结构模式，从而促进RNA序列设计。AlignIF在测试集中优于现有最先进方法。值得注意的是，它能够设计整个RNA家族，而不仅限于重现天然序列。此外，AlignIF成功设计了功能性RNA荧光适配体和自切割核酶，这些适配体和核酶表现出可测量的活性，且无需任何后设计筛选。对于Mango-I，10个设计的适配体中有2个表现出增强的荧光，另有2个与野生型相比表现出改进的结合亲和力。对于更具挑战性的iMango-III，所有设计均具有荧光性，包括一个与野生型序列相似度约为30%的设计。结果表明AlignIF在功能性RNA工程中具有潜力。本研究提出AlignIF方法，利用多重结构比对捕获RNA家族间的进化规则和保守模式，实现多样化和结构引导的功能性适配体和核酶设计。

期刊

Nature Computational Science

IF:

18.3

论文数:

3.1K

被引数:

4.0K

机构

shanghai jiao tong university

学者数:

15.7W

论文数: 11.7W

被引数: 159

Ministry of Education of China

学者数:

189

论文数: 43

被引数: 0

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