Glaucocalyxin A

ISODON JAPONICUS VAR: glaucocalyx has demonstrated significant antitumor effects, although the underlying mechanisms remain unclear. Through the integration of network pharmacology and cellular metabolomics, this study investigated the mechanism by which its primary active component, glaucocalyxin A (GLA), inhibits non-small cell lung cancer (NSCLC). The research identified α-linolenic acid metabolism as a key pathway through which GLA exerts its therapeutic effects on NSCLC, and pinpointed critical targets, including PTGS2, PLA2G15, and EGFR. Molecular docking results revealed that GLA exhibits strong binding affinity to these core targets, suggesting a high potential for interaction. Molecular dynamics simulations further confirmed that the GLA complexes display favorable stability. These findings provide a theoretical foundation for elucidating the mechanisms of traditional Chinese medicine and its practical applications.

Isodon japonicus (Nakai) Hara var. Japonicus (Japanese blue basil) has been widely used in traditional medicine to treat diarrhea. Glaucocalyxin A (Gla-A), one of its primary active constituents, has demonstrated anti-inflammatory, antitumor, antioxidant, and antifibrotic properties. Periodontitis, an inflammatory disease triggered by biofilm, leads to the destruction of periodontal supporting tissues. This study employed network pharmacology and biological experiments to elucidate the anti-periodontitis effects of Gla-A.

Network pharmacology combined with biological experiments was employed to identify key targets linking periodontitis and Gla-A and to investigate the related signaling pathways.

Key targets identified included HIF1A, MMP9, mTOR, NFKB1, PTGS2, and STAT3. Notably, Gla-A exhibited the highest binding affinity and stability with MMP9, suggesting its potential as an MMP9 inhibitor. Furthermore, Gla-A suppressed phosphorylation in the PI3K-AKT pathway and inhibited the secretion of pro-inflammatory cytokines, thereby mitigating the progression of periodontitis.

These findings provide novel insights into the mechanism underlying traditional Chinese medicine-adjunctive therapy for periodontitis, offering a promising therapeutic strategy for the disease.