Integrated strategy of lc-ms/ms-Q-TOF analysis, network pharmacology, molecular docking, and bioassay for predicting anti-inflammatory potential mechanism of Flos Camelliae flavae

The chemical composition of the ethyl acetate fraction extract of Flos Camelliae flavae was tentatively characterised using LC-MS/MS-Q-TOF, resulting in the identification of 27 phytochemicals. Integrated network pharmacology and molecular docking analyses predicted that kaempferol-3,7-di-O-β-D-glucoside, procyanidin B2, prunin, and quercetin-3-O-α-L-rhamnoside may be associated with anti-inflammatory activity through potential interactions with inflammation-related targets, including PTK2B, PPARG, SIRT1, JAK2, IL6, TNF, and CAV1. The predicted signaling pathways potentially involved in the anti-inflammatory effects of Flos Camelliae flavae include the PI3K-Akt signalling pathway, the MAPK signalling pathway, and the TNF signalling pathway. In vitro evaluation demonstrated that the ethyl acetate fraction of Flos Camelliae flavae inhibited NO production in LPS-stimulated RAW 264.7 macrophages, with an IC₅₀ value of 37.19 ± 1.89 μg/ml, providing preliminary experimental support for its anti-inflammatory potential.