arXiv:2511.21781q-bio.BMcs.AI2025-11中稿 · AAAI

用蜜蜂算法设计能折叠成特定三维结构的RNA序列

BeeRNA: tertiary structure-based RNA inverse folding using Artificial Bee Colony

  • 借鉴蜜蜂寻蜜行为,优化RNA序列以匹配目标三维结构
  • 在小于100个核苷酸的RNA上实现高结构保真度,运行快速
  • 无需训练、轻量易复现,适合药物与生物技术中的RNA设计

核糖核酸(RNA)逆折叠问题——设计能折叠成特定三级结构的核苷酸序列——是计算生物学的基础难题,在合成生物学和生物工程中有重要应用。复杂三维RNA结构的设计仍面临巨大计算挑战,现有方法大多聚焦于二级结构。为解决三级结构逆折叠问题,本文提出BeeRNA,一种基于人工蜂群(ABC)优化算法的生物启发式方法。该方法结合碱基对距离过滤与基于RhoFold的结构评估(以RMSD衡量),采用两阶段适应度评价策略;通过引入热力学约束与自适应突变率,确保序列具有合理的GC含量和生物学合理性。研究聚焦于短中长度RNA(<100个核苷酸),涵盖miRNAs、适配体和核酶等重要生物分子。BeeRNA在保证高结构保真度的同时,具备实用的CPU运行效率。该轻量级、无需训练的实现将公开发布,为治疗与生物技术领域的RNA设计提供一种有前景的生物启发方案。

原文摘要 · Abstract (English)

The Ribonucleic Acid (RNA) inverse folding problem, designing nucleotide sequences that fold into specific tertiary structures, is a fundamental computational biology problem with important applications in synthetic biology and bioengineering. The design of complex three-dimensional RNA architectures remains computationally demanding and mostly unresolved, as most existing approaches focus on secondary structures. In order to address tertiary RNA inverse folding, we present BeeRNA, a bio-inspired method that employs the Artificial Bee Colony (ABC) optimization algorithm. Our approach combines base-pair distance filtering with RMSD-based structural assessment using RhoFold for structure prediction, resulting in a two-stage fitness evaluation strategy. To guarantee biologically plausible sequences with balanced GC content, the algorithm takes thermodynamic constraints and adaptive mutation rates into consideration. In this work, we focus primarily on short and medium-length RNAs ($<$ 100 nucleotides), a biologically significant regime that includes microRNAs (miRNAs), aptamers, and ribozymes, where BeeRNA achieves high structural fidelity with practical CPU runtimes. The lightweight, training-free implementation will be publicly released for reproducibility, offering a promising bio-inspired approach for RNA design in therapeutics and biotechnology.

RNA设计优化算法生物启发结构预测

Thank you to arXiv for use of its open access interoperability. PaperDance 不是 arXiv 官方产品;中文卡片由大模型生成,请以原文为准。