| 摘要: |
| 目的:采用网络药理学与分子对接技术探究红芪-淫羊藿治疗骨质疏松症(OP)的机制。方法:通过中药系统药理数据库及分析平台(TCMSP)获取并筛选红芪和淫羊藿的有效活性成分，检索整合潜在作用靶点。从3个数据库(GeneCards、DrugBank和OMIM)获取OP的相关靶点，将药物靶点和疾病靶点取交集绘制韦恩图，构建“药物-成分-靶点”关系图，使用STRING数据平台对交集靶点进行分析，构建蛋白互作网络(PPI)，筛选出核心靶点。建立基因本体(GO)功能富集与京都基因和基因组百科全书(KEGG)通路富集分析，最后对红芪-淫羊藿主要活性成分与核心靶蛋白进行分子对接验证。结果:分析确定红芪-淫羊藿活性成分33个，作用靶点538个，与OP交集靶点146个，主要活性成分包括柚皮素、甘草素、淫羊藿A、木犀草素等，核心靶点包括酪氨酸激酶(SRC)、钙黏蛋白相关蛋白(CTNNB1)、信号传导转录激活因子3(STAT3)等。红芪-淫羊藿可能通过调节炎症反应、丝裂原活化蛋白激酶(MAPK)信号通路和磷脂酰肌醇3-激酶/丝苏氨酸蛋白激酶(PI3K/AKT)信号通路等通路发挥抗骨质疏松作用。分子对接结果显示红芪-淫羊藿核心活性成分与核心靶蛋白SRC和表皮生长因子受体(EGFR)有很强的亲和力。结论:红芪-淫羊藿治疗OP的作用机制是多成分、多靶点、多通路参与的。 |
| 关键词: 红芪 淫羊藿 骨质疏松症 网络药理学 分子对接 |
| DOI：10.3969/j.issn.1007-6948.2024.05.025 |
| 投稿时间：2024-04-21 |
| 基金项目:甘肃省中医药管理局项目(GZKP-2021-19) |
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| Exploring the mechanism of Radix Hedysari-Epimedium in treating osteoporosis based on network pharmacology and molecular docking technology |
| CHEN Yu,WANG Li,LU Jia-li |
| Second Provincial Peoples Hospital of Gansu, Lanzhou730000, China |
| Abstract: |
| Objective To explore the mechanism of treating osteoporosis with Radix Hedysari-Epimedium through network pharmacology and molecular docking technology. Methods Obtain and screen the effective active ingredients of Radix Hedysari and Epimedium on the TCMSP website, and search potential targets through the Swiss Target Prediction database. Obtaining target proteins for osteoporosis from three databases: GeneCards, DrugBank, and OMIM. Draw a Venn diagram by taking the intersection of drug related targets and disease targets, construct a "drug-component-target" network diagram, analyze proteins on the STRING data platform, construct protein interaction networks, and obtain core targets. DAVID database was used for GO enrichment and KEGG pathway annotation analysis, and molecular docking verification was conducted between the main active components and core target proteins. Results A total of 33 active ingredients and 538 targets of Radix Hedysari-Epimedium were identified, including naringenin, liquiritigenin, Epimedium A, luteolin. Some core targets were obtained, including SRC, CTNNB1, STAT3. KEGG pathway enrichment analysis showed that Radix Hedysari-Epimedium may treat osteoporosis by regulating inflammatory response, MAPK signaling pathway, and PI3K-AKT signaling pathway. The molecular docking results showed that the core active components of the drug had strong affinity with the core target proteins SRC and EGFR. Conclusion This study revealed the mechanism of multi-component，multi-target and multi-channel for Radix Hedysari-Epimedium in the treatment of osteoporosis. |
| Key words: Radix hedysari epimedium osteoporosis network pharmacology molecular docking |
