Yimaikang Soft Capsule is a traditional Chinese patent medicine used to promote blood circulation, remove blood stasis and improve microcirculation in the treatment of ischemic cardio-cerebrovascular diseases. However, its chemical composition and mechanism of action remain unclear. In this study, the chemical constituents of Yimaikang Soft Capsules were systematically analyzed using high-performance liquid chromatography coupled with Q-Exactive Orbitrap mass spectrometry (HPLC-Q-Exactive Orbitrap MS) and global natural products social molecular networking (GNPS). A total of 125 in vitro components were identified, including 12 compounds reported for the first time in the Yimaikang series of preparations and its raw material herb Erigeron breviscapus. Subsequently, network pharmacology was employed to predict and screen 160 common targets shared between the 125 identified components and the diseases (ischemic cerebrovascular disease and coronary heart disease). Based on these, a "ingredient-target" interaction network and a protein-protein interaction (PPI) network were constructed to identify the core components and key targets. Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment analyses revealed that the mechanism of Yimaikang Soft Capsules primarily involves signaling pathways such as the vascular endothelial growth factor (VEGF) signaling pathway, epidermal growth factor receptor (EGFR) signaling pathway and the advanced glycation end-product receptor (AGE-RAGE) signaling pathway. These pathways are closely associated with biological processes including angiogenesis, inflammation regulation, and apoptosis. Molecular docking validation demonstrated strong binding activity between core components (such as 3, 5, 6, 4′-tetrahydroxy-7-methoxyflavone, aesculin and kaempferol) and their corresponding targets (phosphatidylinositol-4, 5-bisphosphate 3-kinase catalytic subunit beta, PIK3CB; Harvey rat sarcoma viral oncogene homolog, HRAS; phosphoinositide-3-kinase regulatory subunit 1, PIK3R1). This study preliminarily identified the potential active ingredient group of Yimaikang Soft Capsules and elucidated its multi-target, multi-pathway mechanism of action, providing a scientific basis for further clarifying the modern pharmacological foundation of this formulation.
| 科 Family | 属数 Number of genus | 种数 Number of species | 占总种数比例 Percentage of total species (%) | 属 Genus | 种数 Number of species | 占总种数比例 Percentage of total species (%) |
|---|---|---|---|---|---|---|
| 鹅膏菌科Amanitaceae | 2 | 11 | 5.26 | 鹅膏菌属 Amanita | 10 | 4.78 |
| 小菇科 Mycenaceae | 2 | 12 | 5.74 | 丝盖伞属 Inocybe | 5 | 2.39 |
| 多孔菌科 Polyporaceae | 8 | 14 | 6.70 | 蜡蘑属 Laccaria | 5 | 2.39 |
| 红菇科 Russulaceae | 3 | 23 | 11.00 | 小皮伞属 Marasmius | 6 | 2.87 |
| 小菇属 Mycena | 11 | 5.26 | ||||
| 光柄菇属 Pluteus | 5 | 2.39 | ||||
| 红菇属 Russula | 17 | 8.13 | ||||
| 栓菌属 Trametes | 5 | 2.39 |