[1] HU Yaqi GAO Lei HAO Wanshan JIANG Min,.Exploration of Action Mechanism of “Huangqi-Banxia”Drug Pair in Treatment of Nonsmall Cell Lung Cancer [J]. Modern Traditional Chinese Medicine, 2023, (03): 106-117. [doi: 10.13424/j.cnki.mtcm.2023.03.020]
Exploration of Action Mechanism of “Huangqi-Banxia”
Drug Pair in Treatment of Nonsmall Cell Lung Cancer
- Article number:
- 1672-0571(2023)03-0106-12
- Keywords:
- Key words:“Huangqi-Banxia” drug pair; Non small cell lung cancer; Network pharmacology; Molecular docking
- ZTFLH:
- R282.6
- Code:
- A
- Abstract:
- Abstract：Objective To explore the mechanism of action of HuangqiBanxia in the treatment of nonsmall cell lung cancer (NSCLC) using network pharmacology methods and molecular docking technology.Methods Through literature search and TCMSP database screening,the main components and targets of the “Huangqi-Banxia” drug pair were identified.NSCLC related targets were obtained from GeneCards,PharmaGKB,DrugBank,and OMIM databases.The “Traditional Chinese Medicine-Component-Target” and “Traditional Chinese Medicine-Component-Target-Disease” interaction networks were constructed using Cytoscape software；The STRING database was used to construct a protein interaction network,and the key targets of “Huangqi-Banxia” drugs for NSCLC were screened according to topology parameters；Conduct GO functional enrichment and KEGG pathway analysis on key targets,and construct a “component target pathway” network diagram.Use Auto Dock Vina 1.1.2 to connect the main active ingredients obtained with key targets,and use PyMOL software to visualize the results.Results A total of 33 active ingredients were obtained from the “Huangqi-Banxia” drug pair,which acted on 227 potential targets,1253 NSCLC targets,and 97 key targets were identified through topological analysis.Among them,48 targets with degree values ≥ the median,including TP53,AKT1,CASP3,JUN,etc.GO function enrichment analysis shows that biological processes mainly involve cytokine mediated signal pathways,positive regulation of gene expression,and positive regulation of RNA polymerase II promoter transcription；The enrichment analysis of KEGG pathway mainly includes pathways in cancer pathway,tumor necrosis factor signaling pathway,PI3K Akt pathway,etc.The molecular docking results show that the drug “Huangqi-Banxia” has good binding ability to the main active compounds and five core targets.Conclusion The “HuangqiBanxia” drug pair may act on TP53,AKT1,CASP3,JUN,VEGFA and other related targets through the main active ingredients such as quercetin,kaempferol,and baicalin,interfering with signaling pathways such as Pathways in cancer,tumor necrosis factor,and PI3KAkt,synergistically producing and regulating tumor cell cycle,mediating tumor cell apoptosis,inhibiting its proliferation,differentiation,and metastasis to prevent and treat NSCLC.
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Memo
基金项目：国家自然科学基金面上项目（82174458）；国家重点研发计划项目（2018YFC1705100）； 北京中医药大学基本科研业务费重点攻关项目（2020-JYB-ZDGG-123）