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Self-assembled nanostructures derived from traditional Chinese medicine active constituents based on supramolecular chemistry: formation mechanisms and biomedical applications
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DOI   10.11656/j.issn.1673-9043.2026.09.13
Key Words   traditional Chinese medicine active constituents;nanostructures;supramolecular chemistry;self-assembly;pharmacodynamic material basis
Author NameAffiliationE-mail
LIU Xiaomei Department of Pharmacy, Institute of Traditional Chinese Medicine, Tianjin University of Traditional Chinese Medicine, Tianjin 301617, China
State Key Laboratory of Component-based Chinese Medicine, Tianjin 301617, China 
 
ZHENG Xiaodan Department of Pharmacy, Institute of Traditional Chinese Medicine, Tianjin University of Traditional Chinese Medicine, Tianjin 301617, China
State Key Laboratory of Component-based Chinese Medicine, Tianjin 301617, China
Haihe Laboratory of Modern Traditional Chinese Medicine, Tianjin 301617, China 
 
TIAN Fei Department of Pharmacy, Institute of Traditional Chinese Medicine, Tianjin University of Traditional Chinese Medicine, Tianjin 301617, China
State Key Laboratory of Component-based Chinese Medicine, Tianjin 301617, China 
tianfei.louise@163.com 
Abstract
    During decoction,processing,storage,and in vivo transport,active constituents of traditional Chinese medicine(TCM) can spontaneously assemble into diverse supramolecular nanostructures via non-covalent interactions,including hydrogen bonding,electrostatic interactions,π-π stacking,hydrophobic interactions,and coordination interactions. These naturally occurring nanostructures are increasingly recognized as important carriers of pharmacological activity in TCM decoctions,capable of improving the aqueous solubility,membrane permeability,and in vivo stability of bioactive compounds while contributing to enhanced efficacy and reduced toxicity during herbal compatibility and processing. This review systematically summarizes the major driving forces,classification systems,and characterization techniques involved in the self-assembly of active constituents in TCM. Representative herb pairs and classical prescriptions are discussed to elucidate the role of supramolecular chemistry in understanding TCM compatibility principles,processing mechanisms,and holistic therapeutic concepts. Furthermore,recent advances in the investigation of the in vivo behavior of self-assembled nanostructures are reviewed,together with their biomedical applications in antibacterial therapy,cancer treatment,anti-inflammation,wound healing,and drug delivery. Current challenges in this field,including an insufficient understanding of self-assembly mechanisms,limited studies on their in vivo fate,and the lack of standardized quality-control systems,are critically analyzed. Future perspectives are proposed in light of emerging interdisciplinary approaches and technological advances. This review aims to provide a theoretical foundation for elucidating the pharmacodynamic material basis of TCM,promoting the modernization of classical prescriptions,and facilitating the development of novel TCM-derived nanomedicines.

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