| 摘要: |
| 目的:基于网络药理学研究国医大师熊继柏运用藤类药（特指黄芪虫藤饮中的“五藤”，即青风藤、海风藤、络石藤、鸡血藤、钩藤）治疗糖尿病周围神经病变（DPN）的分子机制。方法:在TCMSP数据库中获取五藤有效成分及相关靶点，利用UniProt平台对其进行规范。通过OMIM、GeneCard和DrugBank数据库筛选DPN疾病靶点，将二者取交集后导入STRING 11.5并通过Cytoscape 3.7.1对其进行分析，得到核心靶点及蛋白质-蛋白质相互作用（PPI）网络与五藤成分-DPN靶点-通路网络。在Metascape平台进行基因本体（GO）功能、京都基因与基因组百科全书（KEGG）通路富集分析后用R语言作图。运用Autodock与Pymol软件进行分子对接。结果:五藤关键活性成分为槲皮素、山柰酚、木犀草素、beta-谷甾醇等；核心靶点为禽肉瘤蛋白癌基因同源物（JUN）、蛋白激酶B1（AKT1）、信号转导和转录激活因子3(STAT3）、肿瘤蛋白53（TP53）、丝裂原激活蛋白酶1（MAPK1）等；关键通路为晚期糖基化终末产物-糖基化终末产物受体（AGE-RAGE）、白细胞介素-17（IL-17）等信号通路；分子对接结合能均≤-4.25 kcal/mol。结论:黄芪虫藤饮中五藤治疗DPN具有多成分、多靶点、多途径的分子机制，能够为五藤及黄芪虫藤饮全方治疗DPN的具体机制研究和药物研发提供依据。 |
| 关键词: 糖尿病周围神经病变 黄芪虫藤饮 五藤 网络药理学 分子对接 |
| DOI： |
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| Molecular mechanism of rattan drugs used by National Chinese Medicine Master Xiong Jibai in treatment of diabetic peripheral neuropathy：An analysis based on network pharmacology |
| LIU Xinyi,XIE Siwen,CAO Miao |
| (Hunan University of Chinese Medicine，Changsha 410208，Hunan，China;Yueyang Hospital of Traditional Chinese Medicine，Yueyang 414000，Hunan，China) |
| Abstract: |
| Objective：To investigate the molecular mechanism of rattan drugs (refer specifically to the five rattan drugs in Huangqi Chongteng decoction，i.e.，Sinomenium acutum，Caulis Piperis Kadsurae，Caulis Trachelospermi，Spatholobi Caulis，and Uncaria) used by National Chinese Medicine Master Xiong Jibai in the treatment of diabetic peripheral neuropathy (DPN).Methods：TCMSP database was used to obtain the effective constituents and related targets of five rattan drugs，and the UniProt platform was used for standardization.OMIM，GeneCard，and DrugBank databases were used to screen out the disease targets of DPN.The intersecting targets of the above two groups of targets were obtained and imported into STRING 11.5，and Cytoscape 3.7.1 was used for analysis to obtain core targets，protein-protein interaction network，and rattan drug-DPN target-pathway network.Metascape platform was used to perform gene ontology and Kyoto Encyclopedia of Genes and Genomes pathway enrichment analyses，and R language was used for plotting.Autodock and Pymol software were used for molecular docking.Results：The core active components of the five rattan drugs included quercetin，kaempferol，luteolin，and beta-sitosterol，the core targets included JUN，AKT1，STAT3，TP53，and MAPK1，and the key pathways included the AGE-RAGE signaling pathway and the IL-17 signaling pathway.Molecular docking showed a binding energy of ≤-4.25 kcal/mol.Conclusion：The five rattan drugs in Huangqi Chongteng decoction have the molecular mechanism of multiple components，targets，and pathways in the treatment of DPN，which provides a basis for research on the specific mechanism of the five rattan drugs and Huangqi Chongteng decoction and the development of related drugs. |
| Key words: diabetic peripheral neuropathy Huangqi Chongteng decoction five rattan drugs network pharmacology molecular docking |
