| 姜晓宇,李敬毅,于龙庆,高西壮,王金林,屈光义,申程,甘立军.基于网络药理学和分子对接技术探讨八珍汤颗粒组方治疗冠状动脉粥样硬化性心脏病机制[J].济宁医学院学报,2025,48(3):236-240 |
| 基于网络药理学和分子对接技术探讨八珍汤颗粒组方治疗冠状动脉粥样硬化性心脏病机制 |
| Exploration of the mechanism of Bazhen decoction granules in treating coronary atherosclerotic heart disease based on network pharmacology and molecular docking technology |
| 投稿时间：2023-10-11 |
| DOI：10.3969/j.issn.1000-9760.2025.03.010 |
| 中文关键词: 八珍汤颗粒;网络药理学;冠状动脉粥样硬化性心脏病 |
| 英文关键词: Bazhen decoction granules;Network pharmacology;Coronary atherosclerotic heart disease |
| 基金项目:国家自然科学基金(82000269);山东省中医药科技项目重点项目(Z-2022081) |
| 作者 | 单位 | | 姜晓宇 | 济宁医学院附属医院(临床医学院), 济宁 272013 | | 李敬毅 | 济宁医学院附属医院(临床医学院), 济宁 272013 | | 于龙庆 | 济宁医学院附属医院(临床医学院), 济宁 272013 | | 高西壮 | 济宁医学院附属医院(临床医学院), 济宁 272013 | | 王金林 | 济宁医学院附属医院(临床医学院), 济宁 272013 | | 屈光义 | 济宁医学院附属医院(临床医学院), 济宁 272013 | | 申程 | 济宁医学院附属医院心内科, 济宁 272013
济宁市心血管疾病诊疗重点实验室, 济宁 272029 | | 甘立军 | 济宁医学院附属医院心内科, 济宁 272013
济宁市心血管疾病诊疗重点实验室, 济宁 272029 |
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| 中文摘要: |
| 目的 本研究采用网络药理学方法探讨八珍汤颗粒治疗冠状动脉粥样硬化性心脏病(coronary atheroscleratic heart disease,CAD)的分子机制。方法 以口服生物利用度和药物相似性为评价指标,利用中药系统药理学平台对八珍汤颗粒组方的主要活性成分进行筛选。使用GeneCard、OMIM、PharmGkb、Therapeutic Targets数据库和DrugBank数据库建立CAD靶标数据库。使用Cytoscape软件构建“成分-靶标”的交互活动网络图。利用STRING数据库构建蛋白质相互作用网络,分析相关蛋白质相互作用关系。对核心靶点进行GO生物学功能分析和KEGG富集分析。最后,进行活性成分与靶点的对接。结果 从八珍汤颗粒组方中分离得到174个活性成分,并鉴定出118个潜在的CAD作用靶点。网络分析结果表明,作用靶点主要参与调节生物过程,如细胞代谢,细胞凋亡和细胞增殖。参与CAD治疗的途径包括脂质和动脉粥样硬化、HIF-1信号通路、TNF信号通路、IL-17信号传导途径和PI3K/AKT信号传导途径。八珍汤颗粒组方具有多系统、多成分、多靶点的特点。八珍汤颗粒组方的可能作用机制包括脂质和动脉粥样硬化、HIF-1信号通路、TNF信号通路、IL-17信号传导途径和PI3K/AKT信号传导途径以控制疾病发展。八珍汤颗粒组方中的活性成分,如黄芩素、木犀草素和槲皮素,显示出作为治疗CAD候选药物的强大潜力。结论 八珍汤颗粒组方可能通过黄芩素、木犀草素、槲皮素等调节RELA、TP53、MYC、STAT3、HSP90AA1、MAPK3、MAPK1、MAPK14、FOS、AKT1等靶点。通过脂质和动脉粥样硬化、HIF-1信号通路、TNF信号通路、IL-17信号传导途径和PI3K/AKT信号传导途径调节最终抑制炎症反应以治疗CAD。 |
| 英文摘要: |
| Objective In this study, the molecular mechanism of Bazhen decoction granule formula in the treatment of coronary atherosclerotic heart disease was explored by network pharmacology.Methods Taking oral bioavailability and drug similarity as evaluation indexes,the main active ingredients of Bazhen decoction granule formula were screened by using the traditional Chinese medicine system pharmacology platform.The CAD target database was built using the GeneCard,OMIM,PharmGkb,Therapeutic Targets database,and DrugBank database.An interactive "ingredient-target" active network diagram was constructed using Cytoscape software.The STRING database was used to construct a protein interaction network and analyze the relevant protein interaction relationships.GO biological function analysis and KEGG enrichment analysis were performed on core targets.Finally,the docking of the active ingredient with the target is carried out.Results 174 active ingredients were isolated from the Bazhen decoction granule formula,and 118 potential CAD targets were identified.The results of network analysis showed that these targets were mainly involved in regulating biological processes such as cell metabolism,apoptosis,and cell proliferation.Pathways involved in CAD therapy include lipid and atherosclerosis,HIF-1 signaling pathway,TNF signaling pathway,IL-17 signaling pathway,and PI3K/AKT signaling pathway.The composition of Bazhen decoction granules has the characteristics of multiple systems,multiple components and multiple targets. Possible mechanisms of action include lipid and atherosclerosis,HIF-1 signaling pathway,TNF signaling pathway,IL-17 signaling pathway,and PI3K/AKT signaling pathway to control disease progression. The active ingredients in the Bazhen decoction granule formula,such as baicalein,luteolin and quercetin,have shown strong potential as therapeutic CAD drug candidates. Conclusion Bazhen decoction granules may regulate RELA,TP53,MYC,STAT3,HSP90AA1,MAPK3,MAPK14,FOS,AKT1 and other targets through baicalin,luteolin and quercetin. Definitive inhibition of inflammatory responses is regulated by lipid and atherosclerosis,HIF-1 signaling pathway,TNF signaling pathway,IL-17 signaling pathway,and PI3K/AKT signaling pathway for the treatment of CAD. |
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