基于网络药理学和分子对接探讨黄秦艽治疗炎症性肠病作用机制

To explore the mechanism of Veratrilla baillonii Franch in the treatment of inflammatory bowel disease based on network pharmacology and molecular docking

通过中药网络药理学,预测及筛选黄秦艽活性成分和作用靶点,并通过分子对接技术和细胞实验验证了黄秦艽治疗炎症性肠病(IBD)的潜在靶点.结果从黄秦艽中获得14个活性成分,成分对应的潜在靶点共有278个,获得IBD疾病靶点1445个,交集后获得85个靶点,核心靶点42个,涉及32条主要生物过程,KEGG富集筛选出36条主要通路.分子对接结果显示,黄秦艽两种成分与MMP2、PIK3CA具有较好的结合性.细胞实验结果显示,黄秦艽水提物(WVBF)可以显著改善LPS诱导的RAW264.7巨噬细胞炎症反应,减少炎症因子的释放,抑制MMP2和MMP9的表达.

Through TCM network pharmacology,the potential active ingredients of Veratrilla baillonii Franch were predicted and screened,and the potential target of Veratrilla baillonii Franch on inflammatory bowel disease(IBD)were verified by molecular docking and cell experiment. 14 active components of Veratrilla baillonii Franch were obtained through network pharmacology,with 278 potential targets corresponding to components,1445 targets for IBD disease were obtained,and 85 targets were obtained after intersection,among which 42 core targets were involved in 32 major biological processes,and 36 major pathways were obtained by KEGG analysis. Molecular docking results showed that Veratrilla baillonii Franch and MMP2,PIK3 CA had good binding properties.The results of cell experiment showed that WVBF could significantly improve the inflammatory response induced by LPS and inhibit the expression of MMP2 and MMP9 in RAW264.7 cells.