Molecular mechanism underlying the anti-inflammatory effects of volatile components of Ligularia fischeri (Ledeb) Turcz based on network pharmacology.

Background: Ligularia fischeri (Ledeb) Turcz (LFT) is a well-known expectorant and active anti-inflammatory agent in Chinese traditional medicine. LFT's expectorant effect is closely related to its anti-inflammatory effects. This study aimed to evaluate the differential composition and anti-inflammatory mechanisms of the volatile components in LFT from different production areas.

Method: Headspace solid-phase microextraction-gas chromatography-mass spectrometry analysis of volatile components, as well as chemometric methods, including similarity analysis, hierarchical clustering analysis, and principal component analysis, were performed to identify LFT produced in different areas. The molecular mechanism underlying the anti-inflammatory effects of these components was determined by network pharmacology analysis.

Results: We observed significant differences in the chemical constituents and percentage contents in samples with different origins. Eighteen volatile components were identified in four different producing areas, among which the highest content of olefinic components was the main component of the aroma of LFT. The mechanisms of these pharmacological effects involved multiple targets and pathways. Twenty-seven potential target proteins and 65 signaling pathways were screened, and a "component-target-disease" interaction network map was constructed. The volatile components of the LFT function mainly by inhibiting the production of inflammatory factors.

Conclusion: This study provides a theoretical framework for further development and application of LFT used in traditional Chinese medicine.