[Exploring active components and targets of Gentiana straminea in treating rheumatoid arthritis based on serum pharmacochemistry and network pharmacology]

This study aims to meet the therapeutic needs of rheumatoid arthritis(RA) by focusing on the traditional anti-arthritic medicinal plant Gentiana straminea. An integrated strategy combining characterization of absorbed components, network pharmacology, molecular docking, and molecular interaction verification was employed to systematically investigate the pharmacodynamic material basis and mechanism of this herb against RA. Ultra-high performance liquid chromatography-quadrupole-time of flight-tandem mass spectrometry(UHPLC-Q-TOF-MS/MS) was performed, which identified gentiopicroside, swertiamarin, and loganic acid as the core components absorbed into blood. Network pharmacology prediction and target mapping revealed that these components were primarily involved in RA-related biological processes such as inflammatory response and immune cell activation. Molecular docking suggested that the core components exhibited favorable binding potential with key targets including STAT3, EGFR, and MMP9. Further quantitative validation with bio-layer interferometry demonstrated that gentiopicroside(KD=50.1 nmol·L~(-1)) and swertiamarin(KD=87.7 nmol·L~(-1)) specifically bound to STAT3 with high affinity. The results indicate that G. straminea exert anti-RA effects through its iridoids by targeting STAT3 and modulating related inflammatory pathways, providing a scientific basis for the clinical application of G. straminea and the development of natural anti-RA drugs.