关键词: 心脉通片, 黄芩苷, 菠菜甾醇, 难治性高血压, 非靶向蛋白质组学, 分子对接, 机制, 疗效

Abstract: Objective To explore the potential mechanism by which the active ingredients of Xinmaitong tablets combat resistant hypertension using untargeted proteomic analysis methods. Methods Clinical samples were collected from patients with resistant hypertension (RH) and controlled hypertension (CH) respectively. Using untargeted proteomic technology, differential proteins in plasma from the two groups of patients were characterized. The active ingredients and targets of Xinmaitong tablets were retrieved from the TCMSP and PharmMapper databases. Gene ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment analysis were performed using the Metascape database. Intersection targets of the drug with differentially expressed proteins in RH patients were identified, and molecular docking validation was conducted using the MOE software. Results A total of 162 active ingredients from Xinmaitong tablets were obtained, and 2 intersection targets between the drug and differentially expressed proteins in resistant hypertension were identified. The key active ingredients of Xinmaitong tablets for treating hypertension were baicalin, spinasterol, luteolin, kaempferol, quercetin, stigmasterol, and β-sitosterol while the core targets were Peptidyl-prolyl cis-trans isomerase A (PPIA) and heat shock protein HSP 90-alpha (HSP90AA1). GO and KEGG enrichment analysis involved the top 20 signaling pathways, including platelet degranulation, neutrophil degranulation, and inflammatory response signaling pathways. Molecular docking showed good binding activity between the key active ingredients and the core targets. Conclusion Xinmaitong tablets may exert their therapeutic effect against resistant hypertension by acting on PPIA through baicalin.

Key words: Xinmaitong Tablets, Baicalin, Spinasterol, Resistant Hypertension, Untargeted Proteomic Analysis, Molecular Docking, Mechanism, Therapeutic Effect