Mechanism of Boehmeria nivea Root in the Treatment of Gastric Cancer Based on Network Pharmacology and Molecular Docking
Objective To analyze the mechanism of Boehmeria nivea root in the treatment of gastric cancer based on network pharmacology and molecular docking.Methods The active ingredients of B.nivea root and their targets were collected from TCMSP,CNKI,Wanfang,etc..Disease targets were obtained from databases such as GeneCards and DisGeNET.The rela-tionships between the active ingredients of B.nivea root and the major targets of gastric cancer,as well as the interactions a-mong the disease targets were plotted.GO and KEGG pathway analyses were performed using ClusterProfiler package.Mo-lecular docking was used for verification and rendering.Results Eleven active ingredients were obtained,including β-si-tosterol,emodin,palmitic acid,hederagenin,and ursolic acid,and 77 potential targets were predicted,including ALB,SRC,MDM2,MAPK8,PIK3R1,and MAPK14.The active ingredients of B.nivea root were shown to be involved in 1203 biological processes and 142 KEGG pathways in the treatment of gastric cancer.The binding energies ranged from-4.6 kcal/mol to-12.4 kcal/mol,indicating favorable docking results.Conclusion B.nivea root treats gastric cancer by coordi-nating the combined effects of multiple components,targets,and pathways.
万方数据
维普
