摘要
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。
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 PIK3 CA, PIK3 CB, PIK3 CD, 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.
作者
范卫锋
邹园生
李文佳
李皓翔
汪小东
梅全喜
钱正明
FAN Wei-Feng;ZOU Yuan-Sheng;LI Wen-Jia;LI Hao-Xiang;WANG Xiao-Dong;MEI Quan-Xi;QIAN Zheng-Ming(Yichang Shanchengshuidu Cordyceps Co.,Ltd.,Yichang,Hubei 443300,China;Guangzhou University of Chinese Medicine,Guangzhou,Guangdong 510011,China;Shenzhen Baoan Authentic TCM Therapy Hospital,Shenzhen,Guangdong 518101,China)
出处
《菌物学报》
CAS
CSCD
北大核心
2021年第11期2995-3011,共17页
Mycosystema
基金
湖北省科技重大专项(2020ACA007-05)。
关键词
冬虫夏草
肾纤维化
网络药理学
分子对接
Ophiocordyceps sinensis
renal fibrosis
network pharmacology
molecular docking
