| 摘要: |
| 目的：运用网络药理学方法探讨八珍汤抗疲劳的药理机制，为八珍汤抗疲劳的临床应用提供理论依据。方法：筛选八珍汤药物的活性成分及靶点，查找疲劳相关基因，确定八珍汤抗疲劳靶点，进行基因本体（GO）功能和京都基因与基因组百科全书（KEGG）通路富集分析，将预测靶点最多的活性成分与蛋白质-蛋白质相互作用（PPI）网络中节点最大的靶点进行分子对接。结果：共筛选出143个有效活性成分，作用于133个疲劳靶点，八珍汤抗疲劳的核心基因主要有白细胞介素-1β（IL-1β）、趋化因子8（CXCL8）等47个。中药-疾病靶点涉及的GO功能分析中，生物过程主要集中在对无机物的反应、脂多糖的反应、炎症反应等；分子功能主要集中在激酶结合、DNA 结合转录因子结合、蛋白质结构域特异性结合等；细胞组分主要集中在膜筏、细胞周期蛋白依赖性蛋白激酶全酶复合物、囊腔等。KEGG通路富集分析主要富集在包括癌症通路、糖尿病并发症晚期糖基化终产物及其受体信号通路、白细胞介素-17（IL-17）信号通路等。分子对接结果显示槲皮素、山柰酚、甘草酮a和β谷甾醇与核心靶点结合性较好，结合能均<0 kcal/mol。结论：八珍汤抗疲劳的机制是多靶点、多通路的，为后续的基础研究提供了思路，并为临床运用八珍汤抗疲劳提供了理论支持。 |
| 关键词: 疲劳 八珍汤 网络药理学 分子对接 |
| DOI： |
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| Mechanism of action of the anti-fatigue effect of Bazhen decoction based on network pharmacology and molecular docking |
| WANG Ruolan,HAN Zucheng,WANG Pei |
| (The First Clinical Medical College，Shaanxi University of Chinese Medicine，Xianyang 712046，Shaanxi，China;The First Clinical Medical College，Shaanxi University of Chinese Medicine，Xi’an 710004，Shaanxi，China) |
| Abstract: |
| Objective：To investigate the pharmacological mechanism of the anti-fatigue effect of Bazhen decoction based on network pharmacology，and to provide a theoretical basis for the clinical application of the anti-fatigue effect of Bazhen decoction.Methods：The active components and targets of the drugs in Bazhen decoction were obtained，and fatigue-related genes were searched.The anti-fatigue targets of Bazhen decoction were determined，and gene ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment analyses were performed.Molecular docking was performed between the active components with the most prediction targets and the targets with the largest nodes in protein-protein interaction network.Results：A total of 143 active components were obtained，which acted on 133 fatigue-related genes.There were 47 core genes associated with the anti-fatigue effect of Bazhen decoction，such as IL-1β and CXCL8.GO functional analysis involving TCM drugs-disease targets showed that biological processes were mainly enriched in response to inorganic substance，response to lipopolysaccharide，and inflammatory response；molecular functions were mainly enriched in kinase binding，transcription factor-DNA binding，and protein domain-specific binding；cellular components were mainly enriched in membrane raft，cyclin-dependent protein kinase complex，and cystic cavities.KEGG pathway enrichment analysis showed the enrichment in the cancer pathway，the signaling pathways of advanced glycation end product and its receptor in diabetic complications，and the interleukin-17 signaling pathway.Molecular docking showed that quercetin，kaempferol，licochalcone A，andβ-sitosterol had a good binding capacity to the core targets，with a binding energy of <0 kcal/mol.Conclusion：Multiple targets and pathways are involved in the anti-fatigue mechanism of Bazhen decoction，which provides ideas for subsequent basic research and a theoretical basis for the clinical application of the anti-fatigue effect of Bazhen decoction. |
| Key words: fatigue Bazhen decoction network pharmacology molecular docking |
