美国普渡大学Chengde Mao团队报了DNA基序组装成三角形的AlphaFold 3 -辅助设计。相关研究成果发表在2024年9月5日出版的《美国化学会杂志》。

生物分子的自组装为纳米医学、生物传感和成像、疫苗、计算、纳米光子学等领域的广泛应用提供了强大的工具。关键是合理设计构建块和分子间相互作用。

沿着这条路线，结构DNA纳米技术通过将DNA二级结构限制在主要成熟的B型DNA双链体上而迅速发展，这可以很容易和可靠地预测。

随着该领域的发展，必须引入更复杂的结构元素。在增加结构复杂性的同时，它们也给预测DNA纳米结构带来了挑战。在过去，经常使用残酷而乏味的试错方法来解决这个问题。

该文中，研究人员报告了一个应用AlphaFold 3对结构元素进行建模以促进DNA纳米结构设计的案例研究。

该方法有望普遍适用，并极大地促进了结构DNA纳米技术的进一步发展。

附：英文原文

Title: AlphaFold 3 – Aided Design of DNA Motifs To Assemble into Triangles

Author: Anusha, Zhe Zhang, Jinyue Li, Hua Zuo, Chengde Mao

Issue&Volume: September 5, 2024

Abstract: Self-assembly of biomolecules provides a powerful tool for a wide range of applications in nanomedicine, biosensing and imaging, vaccines, computation, nanophotonics, etc. The key is to rationally design building blocks and the intermolecule interactions. Along this line, structural DNA nanotechnology has rapidly developed by limiting DNA secondary structures to primarily well-established, B-form DNA duplexes, which can be readily and reliably predicted. As the field evolves, more sophisticated structural elements must be introduced. While increasing the structural complexity, they bring  challenges to predicting DNA nanostructures. In the past, a brutal and tedious error-and-trial approach has often been used to solve this problem. Here, we report a case study of applying AlphaFold 3 to model the structural elements to facilitate DNA nanostructure design. This protocol is expected to be generally applicable and greatly facilitates the further development of structural DNA nanotechnology.

DOI: 10.1021/jacs.4c08387

Source: https://pubs.acs.org/doi/abs/10.1021/jacs.4c08387