| 杨伟金,张金秋,何晶晶,蒋正立.基于网络药理学和分子对接技术探讨苍术的抗胃癌作用[J].浙江中西医结合杂志,2026,36(2): |
| 基于网络药理学和分子对接技术探讨苍术的抗胃癌作用 |
| To investigate the anti-gastric cancer effect of Atractylodes Lancea (Thunb.) DC based on network pharmacology and molecular docking techniques |
| 投稿时间：2025-04-10 修订日期：2025-08-04 |
| DOI： |
| 中文关键词: 苍术 胃癌 网络药理学 分子对接 |
| 英文关键词:Atractylodes Lancea (Thunb.) DC Gastric cancer Network pharmacology Molecular docking |
| 基金项目:台州市科技计划项目(23ywb01) |
|
| 摘要点击次数: 104 |
| 全文下载次数: 0 |
| 中文摘要: |
| 目的：基于网络药理学和分子对接技术探索苍术抗胃癌作用的物质基础及潜在作用机制。方法：通过HERB、TCMSP数据库获取苍术的主要活性成分及作用靶点；通过GeneCards、DisGeNET数据库获取胃癌的疾病靶点；应用微生信平台获取苍术和胃癌的交集靶点；应用Cytoscape软件构建活性成分-靶点-通路网络图；应用STRING 数据库和 Cytoscape 软件中构建苍术和胃癌的交集靶点PPI网络图；应用DAVID数据库进行GO功能和KEGG通路富集分析；应用AutoDock Tools软件进行分子对接；最后应用Pymol软件对分子对接结果进行可视化分析。结果：共获得苍术有效成分29个,作用靶点818个,汉黄芩素、白术内酯 II、白术内酯 III等是其主要活性成分；共获得胃癌疾病靶点2977个,与苍术共有407个交集靶点；GO功能和KEGG通路富集分析分别得到1372和174条结果；分子对接结果表明,白术内酯 II和ESR2,α-桉叶醇和PTGS1,Stigmastenone和ESR2、CYP19A1、PTPN1、JAK1等对接后结合能绝对值较大,结合活性较高。结论：本研究结果表明苍术能够通过多成分、多靶点和多通路发挥抗胃癌作用,筛选出CYP19A1、PTPN1、ERS2、JAK1、JAK2等主要靶点,通过癌症信号通路、 PI3K/Akt 通路、血脂和动脉粥样硬化通路、MAPK通路等发挥其抗胃癌作用,为苍术抗胃癌作用的相关研究及临床应用提供了参考。 |
| 英文摘要: |
| Objective: To explore the material basis and potential mechanism of Atractylodes Lancea (Thunb.) DC anti-gastric cancer effect based on network pharmacology and molecular docking technology. Methods: The main active components of Atractylodes Lancea (Thunb.) DC were obtained from HERB and TCMSP databases. The disease targets of gastric cancer were obtained by GeneCards and DisGeNET databases. The intersection target of Atractylodes Lancea (Thunb.) DC and gastric cancer was obtained by Weishengxin platform. The active ingredient-target-pathway network diagram was constructed using Cytoscape software. The PPI network diagram of intersection target of Atractylodes Lancea (Thunb.) DC and gastric cancer was constructed by using STRING database and Cytoscape software. GO function and KEGG path enrichment were analyzed by using DAVID database. AutoDock Tools software was used for molecular docking. Finally, Pymol software was used to visualize the results of molecular docking. Results: A total of 29 active components of Atractylodes Lancea (Thunb.) DC were obtained, and 818 targets were identified. The main active components were baicalin, atractylenolide II and atractylenolide III. A total of 2977 targets of gastric cancer were obtained, and 407 intersecting targets were obtained with Atractylodes Lancea (Thunb.) DC. The enrichment analysis of GO function and KEGG pathway obtained 1372 and 174 results, respectively. Molecular docking results showed that the binding energy and binding activity were relatively high after the docking of atractylenolide II with ESR2, α-eudinol with PTGS1, Stigmastenone with ESR2, CYP19A1, PTPN1, JAK1, etc. Conclusion: The results of this study indicate that Atractylodes Lancea (Thunb.) DC can exert its anti-gastric cancer effect through multi-component, multi-target and multi-pathway, and CYP19A1, PTPN1, ERS2, JAK1, JAK2 and other major targets are screened, and its anti-gastric cancer effect is exerted through cancer signaling pathway, PI3K/Akt pathway, lipid and atherosclerosis pathway, MAPK pathway, etc. It provides reference for the study and clinical application of Atractylodes Lancea (Thunb.) DC on anti-gastric cancer. |
| 查看全文 查看/发表评论 下载PDF阅读器 |
| 关闭 |
|
|
|
