Department of Gastroenterology, Hubei No. 3 People's Hospital of Jianghan University, Wuhan, China.
Medicine (Baltimore). 2024 Sep 6;103(36):e35529. doi: 10.1097/MD.0000000000035529.
Upper respiratory tract infection (URTI), one of the most common respiratory diseases, has a high annual incidence. Trollius chinensis capsule has been used to treat URTI in China. However, the underlying-mechanisms remain unclear.
Network pharmacology was used to explore the potential mechanism of action of Trollius chinensis capsule in URTI treatment. The active compounds in Trollius chinensis were obtained from the TCMSP, SymMap, and ETCM databases. The TCMSP, PubChem, and SwissTargetPrediction databases were used to predict potential targets of Trollius chinensis. URTI-associated targets were gathered from GeneCards and DisGeNET databases. The key targets and signaling pathways associated with URTI were selected by network topology, GO, and KEGG pathway enrichment analysis. Molecular docking was used to verify the binding activity between active compounds and key targets.
Quercetin, pectolinarigenin, beta-sitosterol, acacetin and cirsimaritin are major active compounds in Trollius chinensis capsule. Eighty one candidate therapeutic targets were confirmed to be involved in protection of Trollius chinensis capsule against URTI. Among them, 7 key targets (TP53, IL6, AKT1, CASP3, CXCL8, MMP9, and EGFR) were verified to have good binding affinities to the main active compounds. Furthermore, enrichment analyses suggested that inflammatory response, virus infection and oxidative stress related biological processes and pathways were possibly the potential mechanism.
Overall, the present study clarified that quercetin, pectolinarigenin, beta-sitosterol, acacetin and cirsimaritin are proved to be the main effective compounds of Trollius chinensis capsule treating URTI, possibly by acting on the targets of IL6, AKT1, CASP3, CXCL8, MMP9 and EGFR to play anti-infectious, anti-viral, and anti-oxidative effects. This study provides a new understanding of the active compounds and mechanisms of Trollius chinensis capsule in URTI treatment from the perspective of network pharmacology.
上呼吸道感染（URTI）是最常见的呼吸道疾病之一，其发病率很高。中国一直用金莲花胶囊治疗 URTI，但作用机制尚不清楚。
采用网络药理学方法探讨金莲花胶囊治疗 URTI 的潜在作用机制。从 TCMSP、SymMap 和 ETCM 数据库中获取金莲花的活性化合物。使用 TCMSP、PubChem 和 SwissTargetPrediction 数据库预测金莲花的潜在靶点。从 GeneCards 和 DisGeNET 数据库中收集与 URTI 相关的靶点。通过网络拓扑、GO 和 KEGG 通路富集分析选择与 URTI 相关的关键靶点和信号通路。采用分子对接验证活性化合物与关键靶点的结合活性。
金莲花胶囊的主要活性化合物有槲皮素、木樨草素、β-谷甾醇、芹菜素和圣草酚。确定 81 个候选治疗靶点与金莲花胶囊防治 URTI 有关。其中，7 个关键靶点（TP53、IL6、AKT1、CASP3、CXCL8、MMP9 和 EGFR）与主要活性化合物具有良好的结合亲和力。进一步的富集分析表明，炎症反应、病毒感染和氧化应激相关的生物学过程和通路可能是其潜在的作用机制。
综上所述，本研究表明槲皮素、木樨草素、β-谷甾醇、芹菜素和圣草酚可能是金莲花胶囊治疗 URTI 的主要有效化合物，其作用机制可能是通过作用于 IL6、AKT1、CASP3、CXCL8、MMP9 和 EGFR 等靶点发挥抗感染、抗病毒和抗氧化作用。本研究从网络药理学角度为金莲花胶囊治疗 URTI 的活性化合物和作用机制提供了新的认识。
