香砂六君子丸治疗胃轻瘫的活性成分和作用机制

Active ingredients and potential mechanism of Xiangsha Liujun Pill in treating gastroparesis

摘要:

目的 探索香砂六君子丸的活性成分及其治疗胃轻瘫导致延迟胃排空的可能作用机制。 方法 通过（traditional chinese medicine systens pharmacology database and analysis platform，TCMSP）和（traditional chinese medicine integrated databasel，TCMID）数据库及相关文献收集香砂六君子丸的活性成分及靶蛋白，通过GeneCards数据库收集胃轻瘫和延迟胃排空的靶点；由以上数据来构建“成分-靶点-通路”和PPI网络图；对结果进行GO和KEGG富集分析，应用分子对接技术进行初步验证。 结果 筛选出105个有效化合物，可通过调节IL6、CASP3、EGFR等92个潜在靶点发挥作用；涉及TNF、AGE-RAGE等相关信号通路。分子对接结果显示出良好的亲和力。 结论 在香砂六君子丸中，槲皮素、黄芩素、β-谷甾醇等活性成分，可能是防治胃轻瘫所致的延迟胃排空的物质基础，涉及抗感染和抗凋亡等途径，本研究结果可为后续的相关理论和临床研究提供参考。

Abstract:

Objective To study the active ingredients of Xiangsha Liujun Pill and to explore the possible mechanism of delayed gastric emptying caused by gastroparesis based on network pharmacology. Methods The active ingredients and target proteins of Xiangsha Liujun Pill were collected through TCMSP，TCMID database and related literatures. The targets of gastroparesis and delayed gastric emptying were collected through the GeneCards database. The “ingredients-targets-pathways” and protein-protein interaction network were constructed from the above data. The results were subject to GO and KEGG pathway enrichment analyses and were preliminarily verified by molecular docking method. Results A total of 105 effective compounds were screened out，which played roles by regulating 92 potential targets including interleukin-6，caspase-3，and epidermal growth factor receptor，with tumor necrosis factor，AGE-RAGE，and other related signaling pathways involved. The molecular docking results showed good affinity. Conclusion The active ingredients including quercetin，baicalein and β-sitosterol in Xiangsha Liujun Pill may be the material basis for the prevention and treatment of delayed gastric emptying caused by gastroparesis，with anti-infection and anti-apoptosis pathways involved. The study will provide a reference for subsequent related theoretical and clinical studies.