Exploring The Mechanism Of Ginseng In Treating Gastric Cancer Based On Network Pharmacology And Molecular Docking Technolog

Objective:To predict targets and molecular mechanisms of Ginseng(Panax)against GC based on network pharmacology and molecular docking.Methods:TCMSP set OB 30% and drug-like DL 0.18,and the gene names corresponding to the protein targets were obtained by Uniprot database.Related gene targets of gastric cancer were screened in TTD,OMIM,Gene Card,Pharm Gkb and Drug Bank.The intersection of active components and gene targets of gastric cancer,and the core target network was screened by Cytoscape.We used STRING and Cytoscape to screen protein interaction network of candidate targets and key targets for gastric cancer.We analysis GO and KEGG by a software named R.The three-dimensional structures of protein targets and core components were obtained through the PDB database and Pubchem database respectively.Software of Auto Dock Vina and Pymol were applied for molecular docking and binding capability prediction of core components and protein targets.Results:1.Ginseng has 22 active components and 98 corresponding protein targets.2.Five databases combined 1,0890 gastric cancer targets and ginseng acted on 84 targets.3.The network map of ginseng with GC targets has 106 nodes and 179 edges.4.PPI network map was obtained from the STRING database.After two screening,three core targets for gastric cancer,namely RELA(Transcription factor p65),MAPK 8(Mitogen-activated protein kinase 8)and JUN(Transcription factor AP-1).5.According to GO analysis,the treatment of gastric cancer mainly plays an anti-gastric cancer role in membrane rafts,membrane microregion and postsynaptic membrane,by participating in the biological processes such as anti-inflammation,apoptosis and immune regulation.6.In KEGG analysis,ginseng can treat gastric cancer by regulating chemical carcinogen-receptor,inhibiting Kaposi sarcoma-associated herpes virus infection,promoting TNF signaling,and promoting the expression of AGE-RAGE.7.The binding energy of Kaempferol with JUN is <-6.1kcal/mol,and Kaempferol with MAPK8 is <-5.3kcal/mol.The binding energy of β-sitosterol with JUN is <-5.2kcal/mol.Conclusion:1.The active components of ginseng against gastric cancer may be 22 active components including kaempferol and beta-sitosterol.2.The targets of ginseng for treating gastric cancer may be 84 targets,including JUN,RELA,and MAPK 8.3.Ginseng may play a role in treating gastric cancer by EBV infection,interleukin-17(IL-17)signaling,and TNF signaling pathway.