基于网络药理学探讨大黄、决明子、枳实、三七联合给药治疗细菌性肠炎的靶向机制

Exploring the Targeting Mechanism of Rhubarb, Cassia, Citrus aurantium and Panax ginseng Co-Administration for Bacterial Enteritis Based on Network Pharmacology

摘要: 背景：已有基于大黄、决明子、枳实、三七治疗细菌性肠炎的临床给药策略，但其靶向机制不明确，作用具体位点不清晰。目的：阐明大黄、决明子、枳实、三七联合用药的作用机理和靶向机制。方法：采用TCMSP等药理学数据库获得潜在靶点，构建PPI和“中药–活性成分–靶点”网络图，筛选核心成分靶点并进行分子对接。结果：四种药物的活性成分包括大黄素、泽兰黄醇、豆甾醇等。该药物治疗交集靶点49个，KEGG筛选出富集得到的14条相关信号通路，分子对接结果表明，关键活性成分与核心靶点都有较好的亲和力。结论：大黄、决明子、枳实、三七中的大黄素、裘皮素、木犀草素、β-谷甾醇等主要通过AKT1、SRC等通路调控疾病进展。

Abstract: Background: Clinical drug delivery strategies based on Rhubarb, Cassia, Citrus aurantium and Panax ginseng for the treatment of bacterial enteritis have been developed, but the targeting mechanism is unclear and the specific site of action is not clear. Objective: To elucidate the mechanism of action and targeting mechanism of the combination of Rhubarb, Cassia, Citrus aurantium and Panax ginseng. Methods: TCMSP and other pharmacological databases were used to obtain potential targets, construct PPI and “TCM-active ingredient-target” network diagrams, and screen the core component targets and perform molecular docking. Results: The active ingredients of the four drugs included rhodopsin, zeylanol and stigmasterol. The drug therapy intersected 49 targets, and KEGG screened 14 relevant signaling pathways obtained from the enrichment, and the molecular docking results showed that the key active ingredients had good affinity with the core targets. Conclusion: Rhubarb, Cassia, Citrus aurantium and Panax ginseng in rhubarb, cucurbitacin, lignocerosin, and β-sitosterol mainly regulate the disease progression through the pathways of AKT1, SRC, and so on.