山西大学学报（自然科学版）2025，Vol.48Issue(2)：265-277,13.DOI:10.13451/j.sxu.ns.2024172
基于网络药理学与Dijkstra模型的柴胡抗肝癌机制研究
Investigation of the Mechanism of Bupleurum Against Liver Cancer by Integrated Network Pharmacology and Dijkstra Model
摘要
Abstract
Bupleurum is the primary medicine in traditional Chinese compound prescriptions such as Xiaoyaosan,Sinisan,and Xiao-chaihu decoction,commonly used to treat liver cancer.Previous studies have demonstrated that Bupleurum possesses anti-liver can-cer properties.Specifically,the low-polarity partition of Bupleurum(LPB)significantly inhibits liver cancer cell proliferation and promotes apoptosis.However,the material basis and mechanism of LPB in treating liver cancer have not been systematically stud-ied.In this study,liquid chromatography-mass spectrometry(LC-MS)was used to analyze the chemical components of the LPB.Network pharmacology combined with Dijkstra model were used to investigate the key component-target network of LPB against liver cancer.Finally,the interaction between the components and targets of the LPB was verified by molecular docking.Our results identified 35 chemical components in the LPB;40"hithubs"targets were screened by network pharmacology,and mainly involving pathways such as pathways in cancer,proteoglycans in cancer,kaposi sarcoma-associated herpesvirus infection,PI3K-Akt signaling pathway,and chemical carcinogenesis-receptor activation and other pathways.Based on the number of"hithubs"targets in the core pathway,the three most critical targets including epidermal growth factor receptor(EGFR),matrix metalloproteinase(MMP)and matrix metalloproteinase(STAT3)were selected.The Dijkstra model results indicated that RB-8,RB-4,and saikogenin G are key an-ti-liver cancer components in LPB.Molecular docking showed a strong binding affinity between these components and targets.Our findings suggest that RB-8,RB-4 and saikogenin G are the main active components in the LPB,which can inhibit EGFR expression,block the JAK2/STAT3 pathway,thereby curb liver cancer growth and metastasis.This study offers insight into the potential mecha-nism of traditional Chinese medicine in the treatment of liver cancer,and provides a scientific foundation for the clinical application of Bupleurum and the development of related pharmaceutical preparations.关键词
柴胡/网络药理学/Dijkstra传播模型/肝癌/分子对接Key words
Bupleurum/network pharmacology/Dijkstra model/liver cancer/molecular docking分类
中医学引用本文复制引用
王鹏,许文倩,高晓霞,秦雪梅..基于网络药理学与Dijkstra模型的柴胡抗肝癌机制研究[J].山西大学学报（自然科学版）,2025,48(2):265-277,13.基金项目
国家自然科学基金项目(32174099 （）
82304457 （）
82174099) （）
山西省基础应用项目面上项目(20210302123432) （20210302123432）
名优晋药再开发山西省重点实验室项目(202104010910001) （202104010910001）
地产中药功效物质研究与利用山西省重点实验室项目(202105D121009) （202105D121009）
山西省中医药创新团队(zyytd2024020) （zyytd2024020）
山西省"1331工程"重点协同创新中心 （）
山西省科技创新团队 （）
化学生物学与分子工程教育部重点实验室 （）
中国博士后科学基金(2022M721531) （2022M721531）
