Investigating the Anti-hepatocellular Carcinoma Mechanism of the Traditional Chinese Medicine Chloranthus fortunei(A.Gray)Solms-Laub.via Network Pharmacology,Molecular Docking Techniques,and Experimental Verification
- VernacularTitle:基于网络药理学、分子对接技术和实验验证探讨中药四块瓦抗肝癌的作用机制
- Author:
Xingyu XIAO
1
;
Xiaoli HOU
;
Yuanyuan SHEN
;
Chunli OU
;
Dandan MO
;
Xianghua XIA
;
Xiaolei ZHOU
;
Wenyu ZHANG
;
Xiaomei GONG
;
Shuo WANG
Author Information
- Publication Type:Journal Article
- Keywords: Chinese medicine in Chloranthus fortunei(A.Gray)Solms-Laub.; Network pharmacology; Molecular docking technology; Experimental validation
- From: World Science and Technology-Modernization of Traditional Chinese Medicine 2025;27(8):2390-2405
- CountryChina
- Language:Chinese
- Abstract: Objective To investigate the anti-hepatocellular carcinoma mechanism of Chloranthus fortunei(A.Gray)Solms-Laub.via network pharmacology,molecular docking techniques and in vitro experiments.Methods Chemical composition of Chloranthus fortunei(A.Gray)Solms-Laub.was searched by literature.Swiss Target Prediction was used to find corresponding targets.STRING was used to construct protein-protein interactions network(PPI).DAVID was used to enrich GO analysis and KEGG pathway.AutoDock Vina 1.1.2 and Pymol visualisation was used for docking and validation.Results Chloranthus fortunei(A.Gray)Solms-Laub.had 61 active components,685 targets,and 279 intersections with disease targets.The PPI showed that the main active components were Luteolin,Chloranthalactone C,Shizukanolide H,Esculetin,7-Hydroxycoumarin.The key targets were GAPDH,VEGFA,STAT3,JUN,HSP90AA1,AKT1,CTNNB1,CASP3,and ALB.Biological process(BP)involved protein phosphorylation,signal transduction,regulation of RNA polymerase II promoter transcription,cell proliferation,apoptosis.Cellular component(CC)involved cytoplasm,nucleus,cell membrane,cellular exosome.Molecular function(MF)involves protein binding,ATPase,threonine kinase,protein kinase activity.KEGG involved cancer pathway,metabolic pathway,PI3K-Akt signalling pathway,cancer proteoglycans,lipids and atherosclerosis,cytomegalovirus infection,microRNAs in cancer,human T-cell leukaemia virus type 1,Ras signalling pathway,MAPK signalling pathway.Molecular docking showed that silverweed lactone H had a strong affinity for each of the other target proteins,indicating that this component plays a key role.The results of RT-qPCR assay and WB assay showed that there were significant differences in gene and protein expression levels before and after drug administration.Conclusion The Chinese medicine in Chloranthus fortunei(A.Gray)Solms-Laub.can treat hepatocellular carcinoma through the MAPK pathway,and the main active ingredients have good docking effects with the core target proteins of the disease.
