基于网络药理学和分子对接技术探讨冬虫夏草治疗肾纤维化的潜在作用机制

为了探究冬虫夏草治疗肾纤维化的分子机制,本研究运用网络药理学方法筛选出冬虫夏草抗肾纤维化的活性成分、潜在作用靶点及相关信号通路,并对关键的化合物和靶点进行分子对接。结果表明,冬虫夏草共有22个化合物和364个潜在靶点参与治疗肾纤维化,蛋白互作（PPI）分析出IL-6、TNF-α、MAPK3、EGFR、SRC、CASP3和MAPK1等关键潜在靶点,KEGG通路富集筛选得到163条信号通路。分子对接结果显示,冬虫夏草治疗肾纤维化过程中,其核心化合物金色酰胺醇酯、啤酒甾醇、酒渣碱、花生四烯酸、11,14-二十碳二烯酸分别与PIK3CA、PIK3CB、PIK3CD、MAPK1、MAPK3、RELA等具有良好的结合性能。分析结果显示,冬虫夏草具有通过多成分、多靶点、多通路减缓肾纤维化的潜力,为其抗肾纤维化临床使用提供了一定的依据。

Analyses of potential mechanism of Chinese cordyceps in treating renal fibrosis based on network pharmacology and molecular docking

In this study, the potential mechanism of Chinese cordyceps in treatment of renal fibrosis was explored based on network pharmacology and molecular docking. In total, 22 ingredients and 364 potential therapeutic targets were selected including IL-6, TNF-α, MAPK3, EGFR, SRC, CASP3, and MAPK1, and 163 signaling pathways concerned in Chinese cordyceps against renal fibrosis were discovered via KEGG enrichment analysis. The molecular docking results indicated that aurantiamide acetate, cerevisterol, flazin, arachidonic acid, and 11,14-eicosadienoic acid could tightly combine with PIK3CA, PIK3CB, PIK3CD, MAPK1, MAPK3, and RELA, respectively. The results showed that Chinese cordyceps could inhibit renal fibrosis through multi-compounds, multi-targets, and multi-pathways. The results provide the evidence for clinical usage of Chinese cordyceps in treating renal fibrosis.