Introduction/Overview
Atractylodin, CAS number 55290-63-6, is a natural active ingredient isolated from the rhizomes of the medicinal herb Atractylodes lancea and Atractylodes chinensis. As an important medicinal plant in traditional Chinese medicine, Aozhu has long been used to strengthen the spleen, dry dampness, dispel wind, and dispel cold, among other ailments. As one of its main bioactive ingredients, Atractylodes has gradually attracted attention from domestic and international scholars in recent years due to its diverse pharmacological activities. Research shows that atractylodes not only have significant anti-inflammatory effects but also exhibit the activity of natural insecticides, demonstrating potential molecular target regulation in the treatment of viral diseases.
This paper aims to systematically review the chemical structure and physicochemical properties of Atractylodes extract, plant origin, and extraction methods, with a focus on evaluating its pharmacological activity and mechanism of action. Combined with the latest druggability evaluation and pharmacokinetic data, it explores its clinical application prospects and future research directions, providing theoretical basis and reference for research and drug development in the field of natural product pharmacology.
Chemical structure and physicochemical properties
The molecular formula of atractylodes is C12H14O, with a molecular weight of 182.22. Its chemical structure features an aromatic compound containing a benzene ring and an alkyne group, with a hydroxyl group acting as a hydrogen bond acceptor. The TPSA (Topological Polar Surface Area) is 13.14, indicating low molecular polarity and facilitating cell membrane penetration. The LogP value is 3.25, indicating moderate lipid solubility suitable for oral absorption.
The presence of alkynes in the structure of atractylodes gives it unique chemical reactivity and may be an important basis for its biological activity. Its molecular weight is moderate, and its molecular structure is relatively simple, making it easy to chemically modify and synthesize. Atractylodes can cross the blood-brain barrier (BBB), suggesting its potential value in central nervous system diseases. Toxicity assessment showed that Atractylodes had no hepatotoxicity or cardiotoxicity, nor did it inhibit hERG channels. Ames-induced mutagenic tests were negative, demonstrating good safety profiles.
Plant Origins and Extraction Methods
Atractylodes mainly exist in the rhizomes of plants in the Atractylodes genus, especially Atractylodes lancea and Atractylodes chinensis. These two plants are widely used in the Chinese medicinal herb market, with the rhizome part being the main medicinal part. The content of atractylodes varies depending on plant species, origin, harvest time, and processing methods.
Traditional methods for extracting atractylodes mainly include solvent extraction and distillation extraction. Ethanol or methanol is typically used as extraction solvents, and extraction efficiency is improved through reflux extraction or ultrasonic-assisted extraction. After concentration and separation purification, the extract is separated and purified using column chromatography (such as silica gel columns and reversed-phase C18 columns) and high-performance liquid chromatography (HPLC) techniques, ultimately obtaining high-purity atractylodes extract.
In recent years, supercritical CO2 extraction technology and microwave-assisted extraction technology have been introduced into the extraction of atractylodes, significantly improving extraction efficiency and purity, while reducing the use of organic solvents, in line with the concept of green chemistry. Optimizing the extraction process is of great significance for ensuring the quality stability of Atractylodes extract and for subsequent pharmacological research.
Pharmacological activity research
Research on the pharmacological activity of atractylodes mainly focuses on its anti-inflammatory, antiviral, insecticidal, and neuroprotective aspects.
Anti-inflammatory activity
Numerous in vivo and in vitro experiments have shown that atractylodes have significant anti-inflammatory effects. It can inhibit the production of inflammatory mediators such as tumor necrosis factor α (TNF-α), interleukin-6 (IL-6), and nitric oxide (NO), thereby reducing inflammatory responses. Atractylodes extract exerts anti-inflammatory effects by regulating the nuclear factor κB (NF-κB) signaling pathway, inhibiting the expression of pro-inflammatory genes. Additionally, it provides protection against inflammatory cell infiltration and tissue damage.
Insecticidal activity
As a natural insecticide, atractylodes exhibit excellent biological activity. Research has found that Cangzhu extract has toxic effects on various agricultural pests and is relatively toxic to non-target organisms, demonstrating good environmental friendliness. Its insecticidal mechanism may be related to interference with insect neural transmission and metabolic processes, providing potential active ingredients for the development of novel green pesticides.
Antiviral activity
The potential of atractylodes in viral diseases is gradually being discovered. Through network pharmacology and molecular docking studies, atractylodes are predicted to act on a variety of virus-related targets, including BLM, MCL1, IDO1, CDC25A/B, APEX1, WRN, USP1, TRPA1, and CBX1. These targets involve key processes such as viral replication, cell cycle regulation, DNA repair, and immune regulation, suggesting that atractylodes may inhibit viral infection and virus-related pathological reactions through multi-target synergy.
Other pharmacological effects
Atractylodes also exhibit certain neuroprotective effects, possibly related to their ability to penetrate the blood-brain barrier. Some studies have pointed out the regulatory effects of cangzhu in TRPA1 channels, suggesting its potential applications in pain regulation and neuroinflammation. In addition, the proliferation-inhibiting effect of atractylodes on tumor cells has also begun to attract attention, but the related mechanisms still require further clarification.
Mechanism of action and molecular targets
The multi-target mechanism of atractylodes is the foundation of its pharmacological activity. By combining molecular docking and cell experimental data, atractylodes can bind to multiple key protein targets and regulate their functions.
- BLM (Bloom syndrome protein): involved in DNA repair and genome stability, cangzhu extract may influence cellular stress responses by modulating BLM activity.
- MCL1 (Myeloid cell leukemia 1): An anti-apoptotic protein; its regulation by atractylodes helps induce apoptosis in diseased cells.
- IDO1 (indole amine 2,3-dioxygenase 1): regulates the immunosuppressive environment; atractylin inhibits IDO1 and helps restore immune function.
- CDC25A/B (Cell Division Cyclin Phosphatase): Regulates the cell cycle, and its inhibitory effect on atractylodes may block the cell cycle that depends on viral replication.
- APEX1 (Deoxyribonuclease): Involved in DNA repair, atractylodes protect cells from oxidative damage by regulating APEX1.
- WRN (Werner syndrome protein) :D NA helilase, and atractylodes may influence their function, regulating cellular aging and repair.
- USP1 (ubiquitin-specific protease 1): regulates ubiquitination of proteins; atractylodes help maintain protein homeostasis by regulating USP1.
- TRPA1 (Transient receptor potential cation channel subfamily A member 1): involved in pain and inflammation signaling; atractylin modulates it to potentially alleviate inflammation and pain.
- CBX1 (Chromobox homolog 1): Regulates chromatin structure and gene expression; the effect of atractylon may affect cell fate determination.
Through the coordinated regulation of these multiple targets, Atractylodes extract exerts multiple biological effects including anti-inflammation, antiviral, and immunomodulatory, reflecting its complex pharmacological network as a natural drug molecule.
Druggability evaluation and pharmacokinetics
Druggability evaluation of atractylodes indicates it has good drug development potential. Its molecular weight is moderate, LogP value is reasonable, and it complies with the Lipinski rule, indicating good oral bioavailability. Low TPSA values and hydrogen bond receptor counts facilitate cell membrane permeability and can effectively cross the blood-brain barrier, making it suitable for treating central nervous system diseases.
In terms of safety, atractylodes have no hepatotoxicity or cardiotoxicity, do not inhibit hERG channels, and the Ames mutagenic test was negative, indicating low safety risk. In vitro and animal experiments show that atractylodes are well absorbed orally, widely distributed, metabolically stable, and excreted mainly by liver and kidneys.
However, current systematic pharmacokinetic research on Cangzhu extract remains limited, especially in the need for in-depth study of key parameters such as its metabolic enzyme-mediated transformation pathways, plasma protein binding rate, and in vivo half-life to guide clinical dosing design and administration regimen optimization.
Prospects and outlooks for clinical applications
As a natural product with multiple pharmacological activities, acantractyl has broad clinical application prospects. Its remarkable anti-inflammatory and antiviral activity gives it potential value in treating viral diseases such as influenza and coronavirus infections. The multi-target mechanism of action provides theoretical support for its antiviral effect, especially given the current frequent viral mutations and the tendency for single-target drugs to develop resistance, where the multi-target regulatory advantages of atractylodes are particularly prominent.
Moreover, the natural insecticidal activity of Atractylodes provides new ideas for green pesticide development in agriculture, meeting the needs of sustainable development. Its ability to cross the blood-brain barrier also suggests its potential application in neurological diseases such as neuroinflammation and pain management.
Future research should focus on preclinical safety evaluation, pharmacokinetic optimization, and formulation development of Cangzhu extract, while integrating modern molecular biology techniques to deeply analyze its targets and signaling pathways. Through structural modification and medicinal chemical optimization, its activity and pharmacokinetic properties are expected to be enhanced, promoting its clinical translation.
Conclusion
As a natural active ingredient derived from traditional Chinese medicine Atractylodes, Cangzhu Extract demonstrates promising drug development potential due to its unique chemical structure and diverse bioactivity. Its multiple anti-inflammatory, antiviral, and insecticidal effects, combined with excellent druggability and safety, provide valuable resources for pharmacological research of natural products and new drug development.
In the future, through systematic pharmacological mechanism research and preclinical evaluation, Atractylodes is expected to become an important candidate drug in the fields of antiviral and anti-inflammatory treatments. At the same time, its applications in agriculture and neurological diseases are also worth further exploration. Overall, Cangzhu Su represents a model of combining natural product pharmacology with modern drug development and deserves ongoing attention and research investment.