Study on the mechanism of action of Aidi injection in the treatment of colorectal cancer based on network pharmacology and molecular docking
ZENG Lian
YANG Tao
CHEN Jiang
CAO Yibo
HU Wenting
LUO Zicheng
XIAO Tianbao
Abstract：Objective To explore the active ingredients and potential mechanism of action of Aidi injection in the treatment of colorectal cancer(CRC)using network pharmacology and molecular docking technology.Methods The main active substances of Aidi injection were extracted from TCMSP,TCM-ID databases and literature search,and its possible targets of action were further identified using SwissTargetPrediction database.Gene targets of CRC disease were obtained from GeneCards,OMIM,and DisGeNET databases.STRING database and Cytoscape 3.9.1 were used to make"active ingredient-target"and PPI network diagram.GO and KEGG enrichment analyses of the intersected targets were performed using Metascape database.Molecular docking was used to verify the linkage between key components and disease molecules.Results A total of 39 active ingredients of Aidi injection were screened,and 684 disease molecules were screened,with a total of 169 common targets with CRC.The results of GO functional enrichment showed 188 molecular functions,108 cellular components,and 1 845 biological processes.KEGG enrichment analyses showed 200 pathways.The molecular docking results showed that the core components of Aidi injection,such as jaranol,kaempferol and quercetin,docked well with disease molecules TP53,BCL2,AKT1,CCND1 and CASP3.Conclusion Aidi injection may regulate core targets such as TP53,BCL2,AKT1,CCND1 and CASP3 through active ingredients such as jaranol,kaempferol and quercetin to treat CRC.
Keywords：network pharmacologymolecular dockingAidi injectioncolorectal cancer
Publication Date：2024-03-28
Online Publishing Date：2026-08-26(First online date of this platform, not the publication date of the document)
Pages：7( 319-325 )