[1]王璐瑶,张培彤,罗钺,等.基于网络药理学和分子对接探究“川芎-丹参”药对治疗肺癌的作用机制[J].西部中医药,2023,36(10):93-99.[doi:10.12174/j.issn.2096-9600.2023.10.20]
　WANG Luyao,ZHANG Peitong,LUO Yue,et al.Exploration into the Mechanism of "Chuanxiong-Danshen" in the Treatment of Lung Cancer Based on Network Pharmacology and Molecular Docking[J].Western Journal of Traditional Chinese Medicine,2023,36(10):93-99.[doi:10.12174/j.issn.2096-9600.2023.10.20]
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基于网络药理学和分子对接探究“川芎-丹参”药对治疗肺癌的作用机制
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《西部中医药》[ISSN:2096-9600/CN:62-1204/R]

卷:
36
期数:
2023年10期
页码:
93-99
栏目:
出版日期:
2023-10-15

文章信息/Info

Title:
Exploration into the Mechanism of "Chuanxiong-Danshen" in the Treatment of Lung Cancer Based on Network Pharmacology and Molecular Docking
作者:
王璐瑶1, 张培彤2, 罗钺1, 黄蓉1, 林月洁1, 王菁1, 李蒙3
1.北京中医药大学，北京 100029
2.中国中医科学院广安门医院，北京 100053
3.北京中医药大学东直门医院，北京 100700
Author(s):
WANG Luyao1, ZHANG Peitong2, LUO Yue1, HUANG Rong1, LIN Yuejie1, WANG Jing1, LI Meng3
1.Beijing University of Chinese Medicine, Beijing 100029, China
2.Guang'anmen Hospital, China Academy of Chinese Medical Sciences, Beijing 100053, China
3.Dongzhimen Hospital of Beijing University of Chinese Medicine, Beijing 100700, China
关键词:
川芎; 丹参; 网络药理学; 分子对接：肺癌; 作用机制
Keywords:
network pharmacology; molecular docking; lung cancer; mechanism
分类号:
R734
DOI:
10.12174/j.issn.2096-9600.2023.10.20
文献标志码:
A
摘要:
目的通过网络药理学和分子对接方法探究“川芎-丹参”药对治疗肺癌的作用机制。 方法运用中药系统药理学数据库与分析平台（traditional Chinese medicine systems pharmacology database and analysis platform，TCMSP）筛选“川芎-丹参”药对药物成分和靶点，运用Genecards数据库筛选疾病靶点，获取共同靶点；通过Cytoscape软件构建药物活性成分-共同靶点-疾病网络；利用STRING数据库构建蛋白互作网络；利用Metascape数据库进行基因本体论功能富集分析（gene ontology，GO）和京都基因与基因组百科全书富集分析（kyoto encyclopedia of genes and genomes，KEGG）；通过CB-Dock网站进行分子对接验证。 结果“川芎-丹参”共筛选得到木犀草素、丹参酮ⅡA、杨梅酮等79个活性成分，主要作用于TP53、AKT1、MAPK1等149个肺癌疾病靶点上，主要富集在促分裂素原活化蛋白激酶（mitogen-activated proteink inases，MAPK）、磷脂酰肌醇3激酶和蛋白激酶B（phosphatidylinositol 3-kinase and protein kinase B，PI3K-Akt）、Thyroid hormone等相关通路上。 结论“川芎-丹参”主要通过调控细胞增殖凋亡、抑制侵袭转移等方面发挥抗肺癌作用。
Abstract:
ObjectiveTo survey the mechanism of "Chuanxiong(Chuanxiong rhizoma)-Danshen(Salviae miltiorrhizae radix et rhizoma)" in the treatment of lung cancer using network pharmacology and molecular docking. MethodsThe ingredients and targets of the drugs were screened from TCMSP, the disease targets were selected using Genecards database, to obtain the common targets; active ingredients of the drug-common targets-disease network was constructed via Cytoscape software; protein interaction network was built using STRING database; GO function and KEGG enrichment analysis were carried out utilizing Metascape database; molecular docking was verified via CB-Dock website. ResultsAll 79 active ingredients were screened out from "Chuanxiong-Danshen", involving luteolin, tanshinone ⅡA and myricetin, mainly acting on 149 targets of lung cancer such as TP53, AKT1, MAPK1, enriched in MAPK, PI3K-Akt, Thyroid hormone and other related pathways. Conclusion"Chuanxiong-Danshen" could fight against lung cancer primarily through regulating cellular proliferation and apoptosis, inhibiting invasion and metastasis.

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备注/Memo

备注/Memo:
王璐瑶（1995—），女，硕士研究生。研究方向：恶性肿瘤的中西医结合防治。国家自然科学基金（81673797）。
更新日期/Last Update: 1900-01-01