[1]张梦棣,梁鸿艺,时光喜,等.基于网络药理学和分子对接探讨黄芪补肾活血汤治疗乳腺癌的作用机制[J].西部中医药,2024,37(06):61-68.[doi:10.12174/j.issn.2096-9600.2024.06.16]
　ZHANG Mengdi,LIANG Hongyi,SHI Guangxi,et al.Exploration into the Mechanism of Action of Huangqi Kidney-replenishing and Blood-activating Decoction in the Treatment of Breast Cancer based on Network Pharmacology and Molecular Docking[J].Western Journal of Traditional Chinese Medicine,2024,37(06):61-68.[doi:10.12174/j.issn.2096-9600.2024.06.16]
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基于网络药理学和分子对接探讨黄芪补肾活血汤治疗乳腺癌的作用机制
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《西部中医药》[ISSN:2096-9600/CN:62-1204/R]

卷:
37
期数:
2024年06期
页码:
61-68
栏目:
二次研究
出版日期:
2024-06-15

文章信息/Info

Title:
Exploration into the Mechanism of Action of Huangqi Kidney-replenishing and Blood-activating Decoction in the Treatment of Breast Cancer based on Network Pharmacology and Molecular Docking
作者:
张梦棣1, 梁鸿艺1, 时光喜2, 李静蔚2
1.山东中医药大学第一临床医学院,山东 济南 250014
2.山东中医药大学附属医院,山东 济南 250014
Author(s):
ZHANG Mengdi1, LIANG Hongyi1, SHI Guangxi2, LI Jingwei2
1.First Clinical Medical School, College of TCM, Shandong University of Traditional Chinese Medicine, Jinan 250014, China
2.Affiliated Hospital of Shandong University of Traditional Chinese Medicine, Jinan 250014, China
关键词:
乳腺癌; 黄芪补肾活血汤; 网络药理学; 分子对接; 作用机制
Keywords:
breast cancer; kidney-replenishing and blood-activating decotion; network pharmacology; molecular docking; mechanism of action
分类号:
R737.9
DOI:
10.12174/j.issn.2096-9600.2024.06.16
文献标志码:
A
摘要:
目的基于网络药理学和分子对接预测黄芪补肾活血汤治疗乳腺癌的作用机制。 方法利用中药系统药理学数据库和分析平台（traditional Chinese medicines systems pharmacology platform，TCMSP）、BATM-TCM数据库等筛选黄芪补肾活血汤主要活性成分以及相关靶点，通过Gene Cards数据库搜索乳腺癌相关基因并进行筛选，将黄芪补肾活血汤靶点与乳腺癌基因进行映射，利用Cytoscape 3.8.2软
Abstract:
ObjectiveTo predict the mechanism of action of Huangqi (Astragali radix) kidney-replenishing and blood-activating decotion in the treatment of breast cancer based on network pharmacology and molecular docking. MethodsThe traditional Chinese medicines systems pharmacology platform (TCMSP) and BATM-TCM databases were used to screen the main active ingredients and related targets of Huangqi kidney-replenishing and blood-activating decotion, and the Gene Cards database was used to search and screen for breast cancer-related genes after the targets of the decoction were mapped to breast cancer-related genes. Cytoscape 3.8.2 software was used to construct the visualization network of traditional Chinese medicines-components-targets, to draw the protein interactions network, and to conduct the gene ontology (GO), Kyoto encyclopedia of genes and genomes (KEGG) enrichment analysis, so as to screen out the core genes. The compound components of the decoction and the key targets were verified by molecular docking through Swiss Dock website. ResultsThere were 136 active ingredients and 828 potential therapeutic targets in the decoction, of which 76 were potential targets of the decoction for the treatment of breast cancer. TP53, VEGFA, MAPK8, JUN, and EGF were found to be the possible key targets of the decoction for breast cancer treatment in the protein interactions network. The pathways involved in the mechanism of action were found by GO and KEGG enrichment analysis, including PI3K-Akt signaling pathway, microRNAs in tumors, RNA polymerase II transcription factor complex myosin, transcription factor binding, G protein-coupled amine receptor activity, heme binding, protein structural domain-specific binding, nuclear receptor activity, transcriptional regulation abnormality in cancers, vascular endothelial growth factor signaling pathway, etc. Molecular docking validation showed that the compounds quercetin, kaempferol, β-sitosterol, lignans, phytosterols have good binding ability to the key targets PGR, ADRB2, NR3C2, PREE1, SCN5A. ConclusionThrough the construction of "drug-component-target-signaling pathway" network and the validation of molecular docking technology by network pharmacology, it was found that the treatment of breast cancer with the decoction was mainly realized through multiple pathways and targets, such as anticancer, inhibition of estrogen receptor expression, and modulation of immunity, which could provide more therapeutic methods and more choices of clinical medication.

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备注/Memo

备注/Memo:
张梦棣（1996—），女，在读博士研究生。研究方向：乳腺、甲状腺疾病的中医诊治。国家自然科学基金（81973978）；2021深圳市自然科学基金（JCYJ20210324135413036）。 国家自然科学基金（82374452）；全国中医临床特色技术传承骨干人才项目（全国中医药人教函〔2019〕36号）；山东省齐鲁卫生与健康领军人才项目（鲁卫人字〔2020〕3号）。
更新日期/Last Update: 2024-06-15