Mechanism of anti-inflammatory effects of volatile compounds of Ai pian based on network pharmacology, in vivo animal experiments, and GC-MS.

ABSTRACT

Ai pian (AP) is a well-known Miao national herb with resuscitative effects. However, pharmacological and clinical applications of AP are limited because its precise molecular mechanism remains unclear. This study was conducted to evaluate the anti-inflammatory activities of the volatile compounds of AP in in vivo animal models and determine the molecular mechanism underlying the anti-inflammatory effects based on network pharmacology and molecular docking. We performed gas chromatography-mass spectrometric analysis of volatile compounds with chemometric methods, including hierarchical clustering analysis and principal component analysis, to identify AP from different origins. Mouse models of xylene-induced ear edema were used to examine the in vivo anti-inflammatory activities of AP with cotton ball-granulation test. The mechanism of AP was determined by network pharmacology analysis and molecular docking. Significant differences in chemical constituents and percentage contents were observed among different habitats. We found that AP exerted potent anti-inflammatory effect, and that multiple targets and pathways were involved in this effect. These results provided a foundation for further comprehensive development and application of AP from Miao national herb.