Integrated metabolomic, network pharmacological, and molecular docking analyses comparing the therapeutic effects of Strobilanthes sarcorrhiza from different origins.

Strobilanthes sarcorrhiza, a characteristic medicinal plant in China, has been traditionally used for nourishing yin and tonifying kidneys through its fleshy roots. However, the lack of clarity regarding its key active components and mechanisms has hindered its comprehensive development. We collected two geographical provenances (YJ and GL) through resource investigation, and compared the differences between two origins through phenotype determination, metabolomics analysis, network pharmacology analysis, and molecular docking experiments. The YJ plants had higher plant height and heavier roots compared to GL plants, while the roots of GL contained higher levels of total flavonoids and phenolic contents. Untargeted metabolomics demonstrated that Daidzein, Isosakuranetin, Apigenin, and Vindoline might be the metabolites predominantly accumulated in the YJ provenance; conversely, Sinensetin, Tangeritin, Vitexin, Phlorizin, and Dopamine might display specific enrichment in the GL provenance. Integrated network pharmacology and molecular docking analyses elucidated that the high-content Apigenin and Vindoline in YJ provenance exhibited nephritis therapeutic potential through targeted binding to EGFR. Conversely, the GL-enriched Sinensetin and Tangeritin demonstrated analgesic effects via SRC interaction, providing mechanistic insights into their dentalgia alleviating properties. This study comprehensively analyzed the quality differences between two origins of S. sarcorrhiza, which systematically elucidates the material basis and molecular mechanisms underlying the pharmacological activities of S. sarcorrhiza, offering scientific support for resource utilization and germplasm improvement.