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已发表论文
肽自组装纳米材料的分子级设计原理与策略：从序列工程到功能应用
Authors Luo Y, Liu X, Dong Z, Song Y
Received 22 September 2025
Accepted for publication 10 December 2025
Published 18 December 2025 Volume 2025:20 Pages 15277—15312
DOI https://doi.org/10.2147/IJN.S569237
Checked for plagiarism Yes
Review by Single anonymous peer review
Peer reviewer comments 2
Editor who approved publication: Dr Xing Zhang
Ying Luo,* Xian Liu,* Zhan Dong,* Yuzhu Song
Research Center of Molecular Medicine of Yunnan Province, Faculty of Life Science and Technology, Kunming University of Science and Technology, Kunming, People’s Republic of China
*These authors contributed equally to this work
Correspondence: Yuzhu Song, Research Center of Molecular Medicine of Yunnan Province, Faculty of Life Science and Technology, Kunming University of Science and Technology, Kunming, People’s Republic of China, Tel +86 871-65939528, Email yuzhusong@kmust.edu.cn
Abstract: Peptide self-assembly has emerged as a pivotal strategy for constructing biomimetic functional materials, demonstrating extensive application potential in biomedicine and materials science owing to its superior biocompatibility, structural programmability, and dynamic tunability. Despite significant advances in this field, a comprehensive synthesis of molecular mechanisms and design methodologies remains lacking. This paper presents, for the first time, a systematic overview grounded in the hierarchical design of polypeptide molecules, elucidating key principles and strategies for engineering self-assembled peptide materials. This paper, for the first time, starts from the hierarchical design of polypeptide molecules and systematically sorts out the design principles and strategies of self-assembled peptide materials: from intramolecular factors such as amino acid sequence regulation, amphiphilic balance and chirality induction, to the hierarchical assembly mechanism driven by non-covalent interactions such as hydrogen bonds, hydrophobic interactions and π - π stacking. The influence of molecular engineering methods such as cofactor modification and co-assembly modification on the fine regulation of structure and function was further explored. Particular emphasis was placed on the methodological innovation of de novo design and bioinformatics aided design in the construction of self-assembled peptides, providing new ideas for achieving structural prediction and function-oriented design. This paper aims to construct a systematic strategy system from molecular basis to design framework, filling the gap in the summary of design methods in this field, and providing theoretical basis and design guidelines for the precise construction and functional expansion of polypeptide self-assembled materials.
Keywords: peptide-based self-assembly, peptide structure, co-assembly, conditional response, in situ assembly, application
Research Center of Molecular Medicine of Yunnan Province, Faculty of Life Science and Technology, Kunming University of Science and Technology, Kunming, People’s Republic of China
*These authors contributed equally to this work
Correspondence: Yuzhu Song, Research Center of Molecular Medicine of Yunnan Province, Faculty of Life Science and Technology, Kunming University of Science and Technology, Kunming, People’s Republic of China, Tel +86 871-65939528, Email yuzhusong@kmust.edu.cn
Abstract: Peptide self-assembly has emerged as a pivotal strategy for constructing biomimetic functional materials, demonstrating extensive application potential in biomedicine and materials science owing to its superior biocompatibility, structural programmability, and dynamic tunability. Despite significant advances in this field, a comprehensive synthesis of molecular mechanisms and design methodologies remains lacking. This paper presents, for the first time, a systematic overview grounded in the hierarchical design of polypeptide molecules, elucidating key principles and strategies for engineering self-assembled peptide materials. This paper, for the first time, starts from the hierarchical design of polypeptide molecules and systematically sorts out the design principles and strategies of self-assembled peptide materials: from intramolecular factors such as amino acid sequence regulation, amphiphilic balance and chirality induction, to the hierarchical assembly mechanism driven by non-covalent interactions such as hydrogen bonds, hydrophobic interactions and π - π stacking. The influence of molecular engineering methods such as cofactor modification and co-assembly modification on the fine regulation of structure and function was further explored. Particular emphasis was placed on the methodological innovation of de novo design and bioinformatics aided design in the construction of self-assembled peptides, providing new ideas for achieving structural prediction and function-oriented design. This paper aims to construct a systematic strategy system from molecular basis to design framework, filling the gap in the summary of design methods in this field, and providing theoretical basis and design guidelines for the precise construction and functional expansion of polypeptide self-assembled materials.
Keywords: peptide-based self-assembly, peptide structure, co-assembly, conditional response, in situ assembly, application