【摘要】 目的 基于网络药理学方法配合分子对接验证，探讨薏苡仁—浙贝母治疗慢性萎缩性胃炎的可能机制。方法 利用TCMSP数据库获取薏苡仁、浙贝母的主要活性成分及其对应靶点，通过5个疾病数据库，包括GeneCards、OMIM、PharmGkb、TTD和DrugBank,收集慢性萎缩性胃炎疾病相关靶点，将药物对应靶点与疾病相关靶点取交集，得到薏苡仁—浙贝母治疗慢性萎缩性胃炎的作用靶点。Cytoscape软件用于成分与靶点间的网络构建与分析。作用靶点的GO功能富集与KEGG通路富集分析使用R语言完成。靶蛋白间的相互作用网络使用STRING数据库平台构建，并筛选核心靶点。Autodock Vina软件用于分子对接，对核心靶点进行进一步验证。结果 筛选出薏苡仁—浙贝母活性成分7个，对应作用靶点12个，进一步经拓扑分析筛选出CASP3、CASP8、PTGS2、JUN、PPARG共5个核心靶点。KEGG分析显示作用靶点主要富集在白细胞介素-17、P53、肿瘤坏死因子信号通路。通过分子对接证实，核心靶点与对应活性成分间均有较好的结合稳定性。结论 薏苡仁—浙贝母主要通过炎症及肿瘤相关的信号通路实现对慢性萎缩性胃炎的治疗作用。更多还原

【Abstract】 Objective To explore the possible mechanism of Coix seed-Fritillaria thunbergii in the treatment of chronic atrophic gastritis based on the methods of network pharmacology and the verification of molecular docking.Methods The TCMSP database was used to obtain the active components and potential targets. The disease targets related to chronic atrophic gastritis were collected through GeneCards, OMIM, PharmGKB, TTD and DrugBank databases. The potential drug targets and disease-related targets were intersected to obtain the predicted targets. The component-target interaction network was constructed by Cytoscape software, and R language was used for GO and KEGG analysis. Then the predicted targets were analyzed by protein-protein interaction using STRING database, and the core targets were screened. Autodock Vina software was used for molecular docking. Results 7 active ingredients and 12 corresponding action targets were screened, and 5 core targets were screened through topological analysis, which were CASP3, CASP8, PTGS2,JUN and PPARG respectively. The enrichment of KEGG pathway is dominated by IL-17, P53, TNF pathways. The results of molecular docking showed that the active ingredients had good binding ability with the core targets. Conclusion Coix seed and Fritillaria thunbergii can treat chronic atrophic gastritis mainly through inflammation and tumor related signal pathways.更多还原