[1]陈 喜,许 红,李若男,等.基于网络药理学和分子对接的肉豆蔻抗结直肠癌机制研究[J].医学信息,2023,36(14):16-21.[doi:10.3969/j.issn.1006-1959.2023.14.003]
　CHEN Xi,XU Hong,LI Ruo-nan,et al.Mechanism of Myristica Fragrans Houtt. Against Colorectal Carcinoma Based on Network Pharmacology and Molecular Docking[J].Journal of Medical Information,2023,36(14):16-21.[doi:10.3969/j.issn.1006-1959.2023.14.003]
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基于网络药理学和分子对接的肉豆蔻抗结直肠癌机制研究()
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医学信息[ISSN:1006-1959/CN:61-1278/R]

卷:
36卷
期数:
2023年14期
页码:
16-21
栏目:
中医药信息学
出版日期:
2023-07-15

文章信息/Info

Title:
Mechanism of Myristica Fragrans Houtt. Against Colorectal Carcinoma Based on Network Pharmacology and Molecular Docking
文章编号:
1006-1959（2023）14-0016-06
作者:
陈 喜; 许 红; 李若男; 等
（辽宁中医药大学药学院，辽宁 大连 116600）
Author(s):
CHEN Xi; XU Hong; LI Ruo-nan; et al.
(College of Pharmacy,Liaoning University of Traditional Chinese Medicine,Dalian 116600,Liaoning,China)
关键词:
肉豆蔻; 网络药理学; 分子对接
Keywords:
Myristica fragrans Houtt.; Network pharmacology; Molecular docking
分类号:
R285.5
DOI:
10.3969/j.issn.1006-1959.2023.14.003
文献标志码:
A
摘要:
目的 利用网络药理学和分子对接技术研究肉豆蔻治疗结直肠癌的潜在治疗靶点与作用机制。方法 通过中药及生物信息学数据库获取肉豆蔻有效成分及相关靶点，并采用Cytoscape软件构建“成分-靶点-通路”网络模型，利用AutoDock软件进行分子对接。结果 综合中药成分数据库，筛选得到肉豆蔻的9个活性成分，主要作用于24个核心靶点；KEGG分析结果显示，肉豆蔻抗结直肠癌的作用机制涉及内分泌抵抗等多种生物学过程和信号通路。肉豆蔻活性成分与核心靶点的分子对接结果显示，加尔巴辛与Src、AKT1、MAPK3对接的评分最高。结论 肉豆蔻可通过多种信号转导通路发挥缓解结直肠癌的作用，Src、AKT1、MAPK3可能为肉豆蔻抗结直肠癌的治疗靶点，而加尔巴辛可作为后续深入研究的主要活性成分之一。
Abstract:
Objective To study the potential therapeutic target and pharmacological mechanism of Myristica fragrans Houtt. in the treatment of colorectal carcinoma (CRC) based on network pharmacology and molecular docking.Methods The effective components and related targets of Myristica fragrans Houtt. were obtained from the database of Traditional Chinese Medicine and Bioinformatics. The component-target-pathway network model was constructed with Cytoscape software, and the molecular docking was carried out with AutoDock software.Results The 9 active components of Myristica fragrans Houtt. were screened from the database of traditional Chinese medicine ingredients, which mainly acted on 24 core targets. KEGG analysis showed that the mechanism of Myristica fragrans Houtt. against colorectal cancer involves many biological processes and signal pathways such as endocrine resistance. The results of molecular docking between the active components and the core target showed that the score of galbacin docking with Src, AKT1, MAPK3 was the highest.Conclusion Myristica fragrans Houtt. can alleviate CRC through a variety of signal transduction pathways. Src, AKT1 and MAPK3 may be the anti-CRC therapeutic targets of Myristica fragrans Houtt., and galbacin may be one of the main active ingredients for further study.

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更新日期/Last Update: 1900-01-01