Objective:To investigate the anti-tumor mechanism of Pinellia sinensis in
hepatocellular carcinoma(HCC) by network pharmacology and molecular docking methods.
Methods:TCMSP database was used to screen the active ingredients and corresponding targets
of Pinellia with bioavailability(OB)≥30% and drug-like index(DL)≥0.18. GeneCards,
DisGeNET,TTD and Drugbank databases were searched with “liver cancer” as the key word. The
intersection targets of Pinellia tuber and liver cancer were obtained through the Venny platform,
and the PPI network was established by STRING software and the key targets were selected by
“Degree”,“Betweenness” and “Closeness”. The intersection targets were input into the DAVID
platform to obtain information. Then GO function enrichment and KEGG pathway enrichment
analysis were performed by wechat software. Autodock Tools 1.5.7 software was used to perform
molecular docking of the core targets and their corresponding active ingredient baicalein. Results:The results showed that a total of 13 active components of Pinellia were screened,
corresponding to 172 targets. 1 227 targets related to liver cancer. There were 31 intersection
targets between Pinellia and HCC. GO functional enrichment analysis yielded 343 items,
including 258 biological process items(such as cell response to hypoxia,positive regulation of
apoptosis process,and negative regulation of gene expression),22 cellular localization items(such
as nucleoplasm,cytoplasm,mitochondria,and chromatin). There were 63 molecular function items
(such as transcription coactivator binding,transcription factor activity,sequence specific DNA
binding). Through KEGG pathway annotation,101 signaling pathways were identified,such as
cancer pathway,P53 signaling pathway,AGE-RAGE signaling pathway,human cytomegalovirus
infection pathway,etc. Molecular docking results showed that the key targets TP53,AKT1,
VEGFA,and HIFVA had a good affinity with baicalein,the main active ingredient. Conclusion:
Pinellia ternata has synergistic effect on liver cancer through multiple components,targets and
pathways. This study provides sufficient theoretical basis for further research.