首页|基于网络药理学和分子对接探究壮骨止痛方治疗绝经后骨质疏松症的作用机制

基于网络药理学和分子对接探究壮骨止痛方治疗绝经后骨质疏松症的作用机制

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  • 国家科技期刊平台
  • NETL
  • NSTL
  • 万方数据
目的:探究壮骨止痛方治疗绝经后骨质疏松症的潜在作用靶点与机制。方法:利用STRING数据库建立基于BATMAN-TCM数据库筛选出的药物作用靶点与GeneCards、TTD和OMIM数据库中PMOP疾病靶点交集的PPI网络，并借助Cytoscape软件，将该网络可视化处理，得到"药物-活性成分-靶点-疾病"网络，同时，分子对接验证核心活性成分与关键靶点间的结合能力。实验建立绝经后骨质疏松的动物模型，采用mirco-CT和HE染色技术研究壮骨止痛方对绝经后骨质疏松症的治疗作用，并通过RT-PCR技术评估关键靶点mRNA的表达情况。结果:获得壮骨止痛方活性成分与疾病共同靶点69个。其中关键靶点为PPARG、PTGS2、ESR1等。药物-活性成分-靶点-疾病网络揭示核心活性成分为豆甾醇、异补骨脂素、熊果酸、齐墩果酸等。分子对接结果显示两者有较强结合能力。GO功能分析得到主要生物功能为对激素的反应等。KEGG富集主要相关通路为癌症的发病途径、雌激素信号通路等。CT扫描、HE染色可得壮骨止痛方能有效缓解绝经后骨质疏松症，RT-PCR显示壮骨止痛方组PTGS2mRNA表达显著升高，PPARG表达明显降低(P＜0。05)。结论:壮骨止痛方通过多成分、多靶点、多通路治疗PMOP，其成分主要为豆甾醇、异补骨脂素、熊果酸、齐墩果酸，并通过代谢途径、雌激素信号通路等作用于人体INS、AKT1、PPARG、PTGS2、ESR1发挥疗效。
Exploring the mechanism of Zhuanggu Zhitong Formula in treating postmenopausal osteoporosis based on network pharmacology and molecular docking
Objective:To explore the potential target and mechanism of Zhuanggu Zhitong formula in the treatment of post-menopausal osteoporosis.Methods:The PPI network of drug action targets was screened from the BATMAN-TCM database and PMOP disease targets were obtained from GeneCards,TTD,and OMIM databases.This network was then established using the STRING database and visualized with Cytoscape software to create a 'drug-active ingredient-target-disease' network.Additional-ly,molecular docking was employed to confirm the binding ability between core active components and key targets.Molecular docking technique was used to verify the binding ability of core active components to key targets.The animal model of postmeno-pausal osteoporosis was established.Mirco-CT and HE staining were used to explore the effect of Zhuanggu Zhitong formula in the treatment of postmenopausal osteoporosis.RT-PCR was used to evaluate the expression of mRNA.Results:69 active ingredient targets and disease common targets of Zhuanggu Zhitong formula were obtained.The key targets of PPI analysis were PPARG,PTGS2,ESR1 and so on.Drug-active ingredient-target-disease network revealed that the core active components were stigmaster-ol,isopsoralen,ursolic acid,oleanolic acid and so on.The results of molecular docking showed that they had strong binding abili-ty.GO function analysis showed that the main biological function was the response to hormones.The main pathways related to KEGG enrichment were the pathogenesis of cancer,estrogen signal pathway and so on.CT scanning and HE staining can effec-tively relieve postmenopausal osteoporosis.RT-PCR showed that the expression of PTGS2mRNA was significantly increased and the expression of PPARG was significantly decreased in Zhuanggu Zhitong group.Conclusion:Zhuanggu Zhitong formula can treat PMOP with multi-components,multi-targets and multi-pathways.The main components of Zhuanggu Zhitong formula are stig-masterol,Angelicin,ursolic acid and oleanolic acid.Zhuanggu Zhitong formula acts on human INS,AKT1,PPARG,PTGS2 and ESR1 through metabolic pathway and estrogen signal pathway.

Zhuanggu Zhitong FormulaPostmenopausal osteoporosisNetwork pharmacologyMolecular docking

陈诗淇、王意坚、陈瑶、蔡昕瑶、姚海、雷晓明

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湖南中医药大学中西医结合学院,湖南 长沙 410208

湖南中医药大学医学院,湖南 长沙 410208

壮骨止痛方 绝经后骨质疏松症 网络药理学 分子对接

国家自然科学基金资助项目湖南省自然科学基金面上项目湖南省卫生健康委项目湖南省教育厅科学研究项目湖南中医药大学校级研究生创新课题立项项目

819739202021JJ30494D20230310731020K0922023CX170

2024

10.13210/j.cnki.jhmu.20240425.001

海南医学院学报
海南医学院

海南医学院学报

CSTPCD北大核心
影响因子：1.068
ISSN：1007-1237
年,卷(期)：2024.30(16)
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