ACTA NEUROPHARMACOLOGICA ›› 2023, Vol. 13 ›› Issue (2): 15-.DOI: 10.3969/j.issn.2095-1396.2023.02.003

Previous Articles     Next Articles

To Explore the Mechanism of Action and Active Substances of Panax Notoginseng in the Treatment of Gastric Cancer Based on Network Pharmacology and Molecular Docking

GU Ya-ping,HE Yan-bin,NI Zhuo-na,HUANG Bin,LIN Jiu-mo   

  1. 1. Institute of Integrated Traditional Chinese and Western Medicine, Fujian University of Traditional Chinese Medicine, Fuzhou, 350122, China

    2. Fujian Provincial Key Laboratory of Integrated Traditional Chinese and Western Medicine for Senile Sexually Transmitted Diseases, Fuzhou, 350122, China

    3. Fujian Provincial Key Laboratory of Integrated Traditional Chinese and Western Medicine, Fuzhou, 350122, China

    4. Fuzhou Economic and Technological Development Zone Hospital, Fuzhou, 350015, China

  • Online:2023-04-26 Published:2023-11-30

Abstract:

Objective: Through network pharmacology and molecular docking technology, the only known plant component of Babaodan in the treatment of gastric cancer potential active ingredients and its mechanism of action. Methods: The active ingredients and related target proteins of Panax Notoginseng were screened by TCMSP and other databases, and the gastric cancer related targets and drug target proteins mined by GeneCards and DisGeNET databases were intersected. Cytoscape3.7.0 was used to analyze pharmacodynamic components to establish an effective component-target-disease relationship model. The PPI protein interaction map of intersecting targets was constructed by using String database. The enrichment analysis of KEGG pathway and GO classification was carried out using David database. AutoDock Tools 1.5.6 software was used to verify the molecular docking of key active ingredients and core targets of Panax Notoginseng, and PyMol 2.5 software was used to draw the docking model diagram. Results: 99 active ingredients of Panax Notoginseng were selected and 273 target genes were mapped. Through GeneCards database, 15118 gastric cancer disease genes and 234 intersection targets of Notochi and gastric cancer were collected, and 165 KEGG enrichment pathways and 195 GO functional enrichment items were obtained, mainly including cancer pathway, PI3K-Akt pathway, MAPK pathway and Ras pathway. And RNA polymerase promoter transcription positive regulation, signal transduction, gene expression positive regulation, positive regulation of cell proliferation, negative regulation of cell apoptosis and other biological processes; Among them, stigasterol and ginsenoside rh2 with high Hub value had strong molecular docking relationship with gastric cancer genes IL6, TP53 and TNF. Conclusion: Panax Notoginseng may play a role in the treatment of gastric cancer through regulating cancer pathways, PI3K/Akt pathway, MAPK pathway and Ras signaling pathway, among which stigmosterol and ginsenoside rh2 may be one of the key active ingredients of Panax notoginseng.

Key words:

notoginseng, gastric cancer, network pharmacology, molecular docking