Anti-inflammatory effects of Lonicera macranthoides Hand.-Mazz based on Spectrum-effect relationship, network pharmacology and molecular docking technology

This study investigated the anti-inflammatory properties of Lonicera macranthoides and its active component isochlorogenic acid C (ILAC) through an integrated approach combining spectrum-effect relationship analysis, network pharmacology, and molecular docking. Five extracts (S1-S5) were evaluated in LPS-stimulated RAW 264.7 macrophages, with S4 demonstrating the strongest inhibition (45.53 ± 0.23%). HPLC fingerprinting identified 12 characteristic peaks, including ILAC and chlorogenic acid. PLS regression analysis revealed these two compounds were most positively correlated with the observed anti-inflammatory activity. Network pharmacology predicted 113 potential anti-inflammatory targets for ILAC, with PPI network analysis identifying 10 core targets (e.g., CASP3, HIF1A, NF-κB1, TLR4). Molecular docking studies suggested ILAC's potential high binding affinity to these targets (<-5 kcal/mol). Together, these in vitro and in silico analyses indicated that ILAC is a key anti-inflammatory constituent in L. macranthoides, likely acting via multi-target interactions with critical inflammatory mediators. The study provided preliminary molecular-level insights into the traditional use of L. macranthoides for inflammatory conditions and suggested ILAC's potential as a candidate for further anti-inflammatory research. Further in vivo studies are required to substantiate its therapeutic potential and mechanism of action.