Potential active compounds and mechanisms of Shen-Qi-Yi-Chang granule for the treatment of colorectal cancer:an analysis of network pharmacology and molecular docking

Background:In recent years,herbal formulations have assumed an influential part in preventing and treating tumors.Shenqi Yichang granules(SQYCG)have proven effective in the adjuvant treatment of colorectal cancer(CRC),but their mechanism has not been elucidated.This study aimed to explore the potential active compounds and mechanisms of SQYCG in the treatment of CRC using network pharmacology and molecular docking.Methods:The active compounds and targets of SQYCG and the CRC genes were found using the Traditional Chinese Medicine Systems Pharmacology,DrugBank,and DisGeNET databases.The intersected targets of disease genes and drug targets were depicted using a Venn diagram.The protein-protein interaction(PPI)network of these targets was obtained by String platform and visualized using Cytoscape.Gene Ontology(GO)and Kyoto Encyclopedia of Genes and Genomes(KEGG)enrichment analysis were carried using the DAVID database to obtain the core molecular mechanism of SQYCG in CRC treatment.Molecular docking techniques were used to validate the results.Results:A total of 63 compounds and 245 targets were obtained from the herbal prescription after the screening,of which 122 targets crossed with CRC genes.PPI showed that the core regulatory targets include MAPK1,TNF,TP53,JUN,RELA,MAPK14,and MAPK 8.The GO analysis indicated regulation of drug response,apoptotic process,response to hypoxia,angiogenesis,and response to lipopolysaccharide.KEGG pathway enrichment analysis mainly involves TNF,T cell receptor,Toll-like receptor,PI3K-Akt,and MAPK signal pathway.Conclusion:Through network pharmacology,we havedemonstrated that SQYCG has multiple targets,components,and pathways in treating CRC,with anti inflammation and inhibition of cell proliferation being critical components of its mechanism.