小桶
食管癌
医学
中医药
AKT1型
活性成分
系统药理学
计算生物学
传统医学
癌症
药理学
药品
基因
生物
PI3K/AKT/mTOR通路
内科学
遗传学
基因本体论
信号转导
替代医学
病理
基因表达
作者
Dongli Guo,Jingling Jin,Jianghui Liu,Meng Ren,Yutong He
出处
期刊:Current Computer - Aided Drug Design
[Bentham Science Publishers]
日期:2023-01-13
卷期号:19 (5): 367-381
被引量:3
标识
DOI:10.2174/1573409919666230111155954
摘要
To provide new methods and ideas for the clinical application of integrated traditional Chinese and Western medicine in the treatment of esophageal cancer.Traditional Chinese medicine compound Kushen injection (CKI) has been widely used in the clinic with adjuvant radiotherapy and chemotherapy. However, the mechanism of action of CKI as adjuvant therapy for esophageal cancer has not yet been described.This study is based on network pharmacology, data mining, and molecular docking technology to explore the mechanism of action of CKI in the treatment of esophageal cancer. We obtained the effective ingredients and targets of CKI from the traditional Chinese medicine system pharmacology database and analysis platform (TCMSP) and esophageal cancer-related genes from the Online Mendelian Inheritance in Man (OMIM) and GeneCards databases.CKI mainly contains 58 active components. Among them, the top 5 active ingredients are quercetin, luteolin, naringenin, formononetin, and beta-sitostero. The target protein of the active ingredient was matched with the genes associated with esophageal cancer. The active ingredients targeted 187 esophageal cancer target proteins, including AKT1, MAPK1, MAPK3, TP53, HSP90AA1, and other proteins. Then, we enriched and analyzed the Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) and used AutoDockVina to dock the core targets and compounds. Finally, PyMOL and Ligplot were used for data visualization.This study provides a new method and ideas for the clinical application of integrated traditional Chinese and Western medicine in the treatment of esophageal cancer.
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