锦灯笼抗炎活性成分作用机制的网络药理学研究

目的]预测锦灯笼中抗炎活性成分发挥作用的分子作用机制。方法]采用反向分子对接方法,将筛选的锦灯笼的活性成分与药物信息数据库Therapeutic Target Database和Drug Bank检索的抗炎作用靶点进行对比分析,归纳总结出锦灯笼活性成分抗炎作用的潜在靶点,并通过MAS3.0对潜在靶点信息进行基因注释,利用Cytoscape3.4.0软件构建锦灯笼活性成分-靶点-通路-疾病网络并分析。结果]锦灯笼54个活性成分作用于12个炎症靶点,涉及参与信号转导、蛋白水解和炎症反应等16条相关生物过程的代谢通路。结论]网络药理学的研究方法预测锦灯笼活性成分,从分子水平解释了锦灯笼抗炎的作用机制,并为了中药多成分、多靶点、多通路的药效机制提供了科学依据。

Study on the action targets for anti-inflammatory bioactive components of Physalis alkekengi L. var.franchetii (Mast.) Makino based on network pharmacology

Objective] To predict the molecular mechanism of anti-inflammatory effect of active ingredients in Physalis alkekengi L. var.franchetii (Mast.) Makino (PAFM).Methods] The reverse molecular docking method was used to compare the active ingredients of the selected PAFM with the anti-inflammatory targets searched by Therapeutic Target Database and DrugBank. The potential targets of the anti-inflammatory effect of the active components were summarized by MAS.3.0 annotation analysis. Cytoscape3.4.0 software was used to construct the active ingredient-target-pathway-disease network and analyzed.Results] Fifty-four active components act on twelve inflammatory targets and 16 metabolic pathways related to biological processes involving in signal transduction, protein hydrolysis and inflammatory response.Conclusion] The method of network pharmacology is used to predict the active components of PAFM. The mechanism of the anti-inflammatory effect is explained from the molecular level, which provides the scientific basis for the mechanism of the multi-components, multi-targets and multi-pathways.