Serum pharmacochemistry profiling combined with molecular docking analysis to reveal the pharmacodynamic material basis of Lonicerae japonicae flos against acute lung injury

Lonicerae japonicae flos (LJF), a medicine and food homology substance, regulates inflammatory responses. Our preliminary study demonstrated that LJF can intervene in acute lung injury (ALI) through the IL-17 signaling pathway via RNA-seq, yet the material basis remains unclear. Thus, the aim is to investigate the potential targets and pharmacodynamic material basis of LJF against ALI through serum pharmacochemistry and molecular docking. Utilizing ELISA and HE staining, the expression of IL-17C, IL-17F, CXCL2, and CXCL6 was notably downregulated in the LJF group, leading to an improvement in alveolar histological structure damage and a reduction in lung inflammation. Consequently, compared with the ALI group, western blotting results revealed that the expression levels of IL-17F proteins were significantly decreased in the LJF group, confirming IL-17F as the primary target. Subsequently, in accordance with the serum pharmacochemistry theory of traditional Chinese medicine, a total of 30 blood-absorbed ingredients were screened in the LJF. Molecular docking demonstrated that isochlorogenic acid B exhibited strong binding affinity with the IL-17F targets. The results of in vitro experiments indicated that isochlorogenic acid B suppressed the expression of the downstream signaling pathways MAPK and NF-κB by targeting IL-17F, subsequently reducing the levels of inflammatory mediators to treat ALI. In light of physiological and pathological insights, this study has pinpointed the characteristic constituents and blood-absorbed ingredients of LJF. It has also identified the key active components and potential targets associated with its anti-ALI effects, thereby elucidating the pharmacodynamic basis of LJF in the prevention of acute lung injury. • LJF can reduce inflammation, regulates IL-17F expression, and alleviates ALI. • A total of 30 blood-absorbed ingredients were screened in the LJF through the UPLC-Q-TOF-MS. • The isochlorogenic acid B(ICAB) may be the key pharmacodynamic basis for its intervention in ALI. • ICAB inhibits the expression of the key gene on IL-17-MAPK/NF-κB signaling pathway.