|Table of Contents|

Analysis of the mechanism of Astragalus in treating lung cancer based on network pharmacology and molecular docking

Journal Of Modern Oncology[ISSN:1672-4992/CN:61-1415/R]

Issue:
2024 24
Page:
4654-4662
Research Field:
Publishing date:

Info

Title:
Analysis of the mechanism of Astragalus in treating lung cancer based on network pharmacology and molecular docking
Author(s):
CHEN Wei1; CUI Yi1; ZOU Mingjun2; YUE Jianren1; ZHANG Xi1; SHI Changbei1; ZHAO Peixi1; ZHANG Yili1
1.Shaanxi Provincial Cancer Hospital,Shaanxi Xi’an 710061,China；2.School of Public Health,Xi’an Jiaotong University,Shaanxi Xi’an 710003,China.
Keywords:
Astragalus; lung cancer; molecular docking; network pharmacology
PACS:
R734.2
DOI:
10.3969/j.issn.1672-4992.2024.24.012
Abstract:
Objective:By employing data screening and molecular docking,this study aims to elucidate the underlying mechanism through which Astragalus exhibits its inhibitory effects on lung cancer.Methods:Initially,Obtaining the active components of Astragalus using the TCMSP platform,followed by the screening of their corresponding targets.Subsequently,potential lung cancer-related genes associated with the drug’s action were obtained from the GeneCards database,and the Venny 2.1 online platform was employed to ascertain the specific targets of Astragalus in inhibiting lung cancer.GO and KEGG analyses were conducted using R software version 4.4.1.Furthermore,the STRING database and Cytoscape version 3.10.2 were utilized to construct a target network elucidating the mechanisms by which the active components of Astragalus inhibit lung cancer,with the CytoNCA plugin in Cytoscape 3.10.2 employed to calculate centrality.Finally,use Schrdinger Maestro 12.8 for docking simulations and show the docking results with PyMOL 3.0.4.Results:A preliminary screening yielded 16 active components and 182 targets.Notable targets closely associated with Astragalus treatment for lung cancer include TP53,ESR1,AKT1,IL6,TNF,MAPK1,HSP90AA1,FOS,CCND1,RELA,and BCL2.Astragalus exerted its inhibitory effects on lung cancer through multiple signaling pathways,primarily including lipid metabolism,atherosclerosis,PI3K-Akt,TNF,and the IL-17 signaling pathway.The findings from data mining and molecular docking were largely consistent,indicating that the active components exert potential regulatory effects on multiple targets.Conclusion:Astragalus may play a significant role in the treatment of lung cancer through multi-target and multi-pathway mechanisms.

References:

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Memo:
陕西省科技厅重点产业链项目（编号：2024SF-ZDCYL-02-15）;陕西省中医药管理局中青年科技骨干人才项目（编号：2023-ZQNY-016）
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