Compared with their linear counterparts, cyclic peptides, characterized by their unique topologies, offer superior stability and enhanced functionality. In this review article, the rational design of cyclic peptide primary structures and their significant influence on self-assembly processes and functional capabilities are comprehensively reviewed. We emphasize how strategically modifying amino acid sequences and ring sizes critically dictate the formation and properties of peptide nanotubes (PNTs) and complex assemblies, such as rotaxanes. Adjusting the number of amino acid residues and side chains allows researchers to tailor the diameter, surface properties, and functions of PNTs precisely. In addition, we discuss the complex host–guest chemistry of cyclic peptides and their ability to form rotaxanes, highlighting their potential in the development of mechanically interlocked structures with novel functionalities. Moreover, the critical role of computational methods for accurately predicting the solution structures of cyclic peptides is also highlighted, as it enables the design of novel peptides with tailored properties for a range of applications. These insights set the stage for groundbreaking advances in nanotechnology, drug delivery, and materials science, driven by the strategic design of cyclic peptide primary structures.

中文翻译：

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合理设计的环肽对自组装介导的功能的结构和功能影响


与线性肽相比，环肽以其独特的拓扑结构为特征，具有卓越的稳定性和增强的功能。本文全面综述了环肽一级结构的合理设计及其对自组装过程和功能能力的重大影响。我们强调了战略性地修饰氨基酸序列和环大小如何关键地决定肽纳米管 （PNT） 和复杂组装体（如 rotasans）的形成和性质。调整氨基酸残基和侧链的数量使研究人员能够精确定制 PNT 的直径、表面特性和功能。此外，我们还讨论了环肽的复杂主客体化学及其形成轮烷的能力，强调了它们在开发具有新功能的机械互锁结构中的潜力。此外，还强调了计算方法在准确预测环肽溶液结构方面的关键作用，因为它能够为一系列应用设计具有定制特性的新型肽。这些见解为纳米技术、药物递送和材料科学的突破性进展奠定了基础，这些进展是由环肽一级结构的战略设计驱动的。