Journal of Guangdong University of Technology ›› 2022, Vol. 39 ›› Issue (04): 98-106.doi: 10.12052/gdutxb.210148

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A Study of the Mechanism of Baihe Dihuang Decoction in the Treatment of Hepatocellular Carcinoma Based on Network Pharmacology and Molecular Docking

He Yan1, Zhang Zi-ling1, Zhao Yan-tong1, Li Xiao-jing1, Wei Mei2   

  1. 1. School of Biomedical and Pharmaceutical Sciences, Guangdong University of Technology, Guangzhou 510006, China;
    2. Guangdong Key Laboratory of Traditional Chinese Medicine Formula Granule, Guangdong Yifang Pharmaceutical Co., Ltd., Foshan 528244, China
  • Received:2021-10-12 Online:2022-07-10 Published:2022-06-29

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Abstract: Traditional Chinese medicine is an important part of the comprehensive treatment of hepatocellular carcinoma (HCC) patients in China. To explore the potential mechanism of Baihe Dihuang Decoction in the treatment of hepatocellular carcinoma, the network pharmacology and molecular docking was used. Excavating the ingredient of each drug in Baihe Dihuang Decoction used TCMSP database and literature, and its target protein was predicted by the Swiss Target Prediction database. Disease targets relating to hepatocellular carcinoma were screened out through OMIM and Gene Cards databases, and the target protein name was standardized by the UniProt database. The drug targets and disease targets were selected to make a Veen diagram. PPI network of potential targets was constructed using STRING platform combined with Cytoscape3.7.2 software, and GO (Gene Ontology) analysis and KEGG (Kyoto Encyclopedia of Gene and Genomes) pathways data were obtained to conduct enrichment analysis and predict its mechanism of action. One hundred thirty-one chemical components of Baihe Dihuang Decoction were collected. And the main active components included kaempferol, brownioside and lilioside C. 58 targets of Baihe Dihuang Decoction for the treatment of hepatocellular carcinoma were selected. The PPI network showed the key targets were STAT3, CASP3, VEGFA. The enrichment analysis of KEGG screened out 91 signaling pathways including cancer proteoglycan, VEGF signaling pathway, and PI3K Akt signaling pathway. The results of molecular docking showed that the main active components in Baihe Dihuang Decoction had a stable binding activity with core targets. The compounds in Baihe Dihuang Decoction can play a therapeutic role in the treatment of HCC by acting on multiple targets and multiple pathways to inhibit the proliferation of tumor cells and promote the apoptosis of tumor cells.

Key words: Baihe Dihuang Decoction, network pharmacology, molecular docking, hepatocellular carcinoma

CLC Number: 

  • R285
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