首页|基于网络药理学和分子对接的白药子抗口腔鳞癌作用机制研究

基于网络药理学和分子对接的白药子抗口腔鳞癌作用机制研究

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为利用网络药理学及分子对接技术探究白药子有效成分对应靶基因治疗口腔鳞癌的作用机制.采用TCMSP、PubChem、GeneCards、David、STRING 11.5、SwissTargetPrediction、中国知网等数据库进行文献挖掘获取中药活性成分及疾病相关靶标,并对其进行条件筛选.运用Cytoscape3.7.2绘制白药子的"药物-活性成分-靶点-疾病"网络图,运用Venny 2.1.0网站绘制白药子有效成分-口腔鳞癌交集靶点的韦恩图,利用STRING 11.5网站,将置信度设为0.400,其他设置保持默认,提取交集基因制作蛋白互作(PPI)关系网络图,依据相互关系筛选核心靶标.制作"中药-成分-靶点-疾病"核心靶标互作网络模型.基于David数据库进行功能分析及通路富集分析,再用微生信网站(http://www.bioinformatics.com.cn/)进行可视化分析.结果得到白药子活性成分25个,筛选出有效活性成分6个,筛选出有效基因靶点155个、口腔鳞癌相关基因靶点3 450个,获取相关交集靶点90个,得到20条主要KEGG通路.本研究通过网络药理学研究分析,构造白药子治疗口腔鳞癌"化合物、靶点及其途径"的互作网络,为研究白药子治疗口腔鳞癌临床应用提供理论基础.
Anti Oral Squamous Cell Carcinoma Mechanism of Baiyaozi Based on Network Pharmacology and Macromolecular Docking
This paper tried to explore the mechanism of target gene therapy for oral squamous cell carcinoma by using network pharmacology and Macromolecular docking technology.Literature mining was conducted us-ing databases such as TCMSP,PubChem,Gene Cards,David,STRING 11.5,Swiss Target Prediction,and CNKI to obtain active ingredients and disease-related targets of traditional Chinese medicine,and conditional screening was performed on them.Cytoscape 3.7.2 was utilized for constructing the"drug active ingredient target disease"network diagram of Baiyaozi.Venny 2.1.0 website was used to draw the Venn diagram of the intersection target of Baiyaozi active ingredient oral squamous cell carcinoma.STRING 11.5 website was employed to set the confi-dence level to 0.400 while other settings remained default,and the intersection genes were extracted to make the protein interaction(PPI)relationship network diagram,and core targets were screened according to the relation-ship.The core target interaction network model of"TCM-component-target-disease"was developed.Functional analysis and pathway enrichment analysis were performed based on the David database,and then the bioinformat-ics website(http://www.bioinformatics.com.cn/)was used for conducting visual analysis.As a result,25 active in-gredients of Baiyao seed were obtained and 6 active ingredients were screened.155 effective gene targets were screened and 3450 oral squamous cell carcinoma related gene targets were screened.90 related intersection tar-gets were obtained,and 20 main KEGG pathways were obtained.It is concluded that through network pharmacol-ogy research and analysis,an interaction network of"compounds,targets,and pathways"for the treatment of oral squamous cell carcinoma was constructed to provide a theoretical basis for studying the clinical application of Baiyaozi in the treatment of oral squamous cell carcinoma.

network pharmacologyMacromolecular dockingBaiyaoziactive ingredientsoral squamous cell carcinoma

曾鹏、朱培亮、黄俊章、张晓晴、廖玉梅、赵钿、邓雪儿

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肇庆学院 食品与制药工程学院,广东 肇庆 526061

网络药理学 分子对接 白药子 活性成分 口腔鳞癌

广东省普通高等学校重点领域专项肇庆科持创新指导类项目(2023)肇庆学院课程思政改革示范项目(2022)大学生创新创业训练计划大学生创新创业训练计划

2023ZDZX20692023040301003X202210580144X202310580158

2024

肇庆学院学报
肇庆学院

肇庆学院学报

CHSSCD
影响因子：0.297
ISSN：1009-8445
年,卷(期)：2024.45(2)
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