基于网络药理学及分子对接研究柚皮素抗胃癌机制

吴静洁; 梅应兵; 姚雪婷; 甘爱萍; 张子路; 龙喻; 黄乜瑞

doi:10.3969/j.issn.1671-038X.2021.02.09

基于网络药理学及分子对接研究柚皮素抗胃癌机制

- 1 湖北中医药大学(武汉, 430061);
- 2 湖北省中医院(湖北省中医药研究院、湖北中医药大学附属医院)老年病科;
- 3 武汉市第三医院中医科
基金项目:
国家中医药管理局全国名老中医(甘爱萍)传承工作室建设项目(No:国中医药人教发2016-42)

详细信息

通讯作者: 梅应兵,E-mail:myb114@163.com

中图分类号: R735.2

收稿日期: 2020-06-06

Mechanism of naringenin against gastric cancer based on biomolecular network and molecular docking

- 1 Hubei University of Chinese Medicine, Wuhan, 430061, China;
- 2 Department of Geratology, Hubei Provincial Hospital of TCM;
- 3 Department of TCM, Wuhan Third Hospital

More Information

Corresponding author: MEI Yingbing, E-mail: myb114@163.com

Received Date: 06 June 2020

摘要

摘要: 目的:柚皮素是一种广泛存在于多种中药中的黄酮类化合物,具有优秀的抗炎、抗氧化以及抗癌功能,该研究系统探讨柚皮素抗胃癌的可能作用机制。方法:通过检索TCMSP、CTD、GeneCard、OMIM、DisGeNET及STRING数据平台获得相关数据,筛选后制成“成分-靶点”网络及蛋白互作网络,利用R软件运行bioconductor平台的数据包将相关靶点进行GO和KEGG的富集分析,并应用Schroedinger软件进行分子对接,以分析柚皮素与治疗靶点的作用力及结合自由能。结果:柚皮素治疗胃癌涉及61个靶点,包括TP53、AKT1、Casp3、ALB、MAPK3、EGFR、ESR1等,其中TP53、Casp3对接分数优于原配体。柚皮素可以调控Apoptosis、p53、NF-kB、PI3K-AKT等信号通路可阻滞细胞周期、诱发细胞程序性死亡,能抗肿瘤和抑制新生血管形成。结论:柚皮素治疗胃癌是多靶点、多通路作用结果,具有一定的研究和开发前景。
- 柚皮素 /
- 胃癌 /
- 网络药理学 /
- 分子对接 /
- 通路 /
- 靶点
Abstract: Objective: In order to study the mechanism of naringenin on gastric cancer.Methods: Through retrieving TCMSP, CTD, GENECARD, OMIM, Disgenet and string databases, the "component-targets" network and PPI network were constructed by the filtered data. Bioconductor platform was used to carry out GO and KEGG enrichment analysis of related targets by R, and the molecular docking was carried out by Schroedinger software to analyze the force between naringenin and therapeutic targets.Results: The results showed that there were 61 targets involved in naringeninintreatment of gastric cancer, including TP53, AKT1, Casp3, ALB, MAPK3, EGFR, ESR1, etc. Naringenin can regulate apoptosis, p53, NF-kB, PI3 K-AKT and other signaling pathways, which can block cell cycle, induce programmed cell death, and inhibit tumor and angiogenesis.Conclusion: The result indicates that naringenin has a multi-target and multi-channel effect in the treatment of gastric cancer, which has research and development prospect.
- naringenin /
- gastric cancer /
- network pharmacology /
- molecular docking /
- pathway /
- target

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