摘要
目的:基于网络药理学及分子对接探讨益肾壮腰丸治疗骨质疏松症的作用机制。方法:利用TCMSP数据库及HERB平台筛选益肾壮腰丸有效成分,在GeneCards数据库和OMIM数据库获得骨质疏松症的疾病靶点,从而构建“中药—成分—靶点”网络图。交集基因导入STRING平台构建蛋白互作网络图(PPI)并筛选出核心靶点。最后进行基因本体论(GO)和京都基因和基因组百科全书(KEGG)分析,并通过分子对接验证结果。结果:筛选出益肾壮腰丸活性成分140个,基因靶点260个,疾病靶点1381个,其中核心靶点19个。GO分析结果显示,靶点蛋白主要富集在细胞周期、炎症、激素、脂质代谢等方面。KEGG分析结果显示,主要涉及细胞生长、分化及凋亡相关通路及炎症和脂质代谢的相关通路。分子对接结果显示,β-谷甾醇、异补骨脂甲素等有效成分与IL-6、TNF等核心靶点能有效结合。结论:益肾壮腰丸中的β-谷甾醇、异补骨脂甲素等有效成分可能通过作用于IL-6、TNF等核心靶点抑制破骨细胞分化,并促进成骨细胞生成,同时与减轻氧化应激、抑制炎症反应及激素调节密切相关,从而对骨质疏松起到一定改善作用。
Objective:To investigate the mechanism of action of yishen zhuangyao pill in osteoporosis,employing network pharmacology and molecular docking approaches.Methods:The effective components of yishen zhuangyao pill were screened by TCMSP database and HERB platform,and the disease targets of osteoporosis were obtained from GeneCards database and OMIM database,so as to construct the“TCM-ingredient-target”network diagram.Intersecting genes were imported into the STRING platform to construct a protein-protein interaction(PPI)network map and screen core targets.Moreover,the Metascape was utilized for the enrichment analysis of gene ontology(GO)and Kyoto Encyclopedia of Genes and Genomes(KEGG).Results:140 active ingredients,260 gene targets and 1381 disease targets were selected for yishen zhuangyao pill,including 19 core targets.The outcomes of GO analysis demonstrated that the target proteins were predominantly concentrated in cell cycle,inflammation,hormones,and lipid metabolism aspects.The KEGG analysis revealed that the proteins were primarily engaged in pathways associated with cell growth,differentiation,apoptosis,and the pathways associated with inflammation and lipid metabolism.Molecular docking studies revealed thatβ-sitosterol,isopsoralen,and other active components can effectively bind to IL-6,TNF,and other key targets.Conclusion:The active ingredients of yishen zhuangyao pill,such asβ-sitosterol and isopsoralen,may inhibit osteoclast differentiation and promote osteoblast formation by acting on core targets such as IL-6 and TNF,and are closely related to alleviating oxidative stress,inhibiting inflammatory response and hormone regulation,so as to play a certain role in improving osteoporosis.
作者
李焕东
陈长贤
邹福贤
LI Huandong;CHEN Changxian;ZOU Fuxian(Fujian University of Traditional Chinese Medicine,Fuzhou City,Fujian Province 350122;不详)
出处
《医学理论与实践》
2025年第4期564-568,共5页
The Journal of Medical Theory and Practice
基金
泉州市级科技计划项目(2022C026R)
泉州市财政局泉州市科学技术局文件(泉财指标〔2022〕819号)。
关键词
益肾壮腰丸
骨质疏松症
网络药理学
分子对接
Yishen zhuangyao pill
Osteoporosis
Network Pharmacology
Molecular docking
