ACTA NEUROPHARMACOLOGICA ›› 2024, Vol. 14 ›› Issue (3): 27-.DOI: 10.3969/j.issn.2095-1396.2024.03.004

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Mechanism of Dandelion's Anti-Gastric Cancer Effects Based on Network Pharmacology and Molecular Docking Analysis

WANG Jing, LI Lu-lu, WANG Shao-xuan, TAO Zi-ai, JIA Gui-yan, DONG Shang-lin   

  1. 1. Life Science Research Center, Hebei North University, Zhangjiakou, 075000, China 

    2. Institution of Microcirculation, Hebei North University, Zhangjiakou, 075000, China 

    3. College of Traditional Chinese Medicine, Hebei North University, Zhangjiakou, 075000, China 

    4. First Clinical Medical College, Hebei North University, Zhangjiakou, 075000, China

  • Online:2024-06-26 Published:2024-08-20

Abstract:

Objective:To predict the active components and primary targets of dandelion in the treatment of gastric cancer using network pharmacology, and to explore its underlying mechanisms. Methods: Potential active components of dandelion were retrieved from TCMID, PubChem, and Swiss Target Prediction databases, and their corresponding targets were predicted. Gastric cancer-related targets were identified using OMIM, GeneCards and DrugBank databases. Common targets between dandelion and gastric cancer were identified. STRING database was used for protein-protein interaction analysis. Cytoscape 3.9.1 was employed to create a "drug-componenttarget- disease" network, while Network Analyzer was utilized to analyze the key targets. GO and KEGG enrichment analyses were conducted using Bioconductor packages in R software Molecular docking of dandelion's main active components with core targets was conducted using AutoDock. Results: 65 potential active components and 577 drug targets of dandelion were identified, along with 1 517 gastric cancer targets, yielding 118 common targets. Key active components include artemetin, quercetin, luteolin, myricetin, hesperetin, coniferyl aldehyde, and esculetin. Key targets include STAT3, SRC, MAPK3, HSP90AA1, PIK3R1, MAPK1, and PIK3CA. GO analysis identified 2 402 biological processes, 91 cellular components, and 168 molecular functions. KEGG analysis identified 163 pathways. Molecular docking indicated strong binding affinities between major active components and key targets. Conclusion: Dandelion exhibits therapeutic effects on gastric cancer through multiple components, pathways, and targets, providing a theoretical basis for further investigation into its antigastric cancer mechanisms and offering relevant evidence for subsequent experimental validation.

Key words: network pharmacology, dandelion, gastric cancer, molecular docking

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