Network pharmacology and single-cell transcriptomic analysis with molecular docking to elucidate the potential compounds and targets of Polygonum cuspidatum Sieb.et Zucc.for hepatocellular carcinoma  

作　　者：Wenze Wu Yuzhu Shi Yongzi Wu Rui Zhang Xinyan Wu Weidi Zhao Zhiyuan Chen Gang Ye 

机构地区：[1]Key Laboratory of Bioresource Research and Development of Liaoning Province,College of Life and Health Sciences,National Frontiers Science Center for Industrial Intelligence and Systems Optimization,Key Laboratory of Data Analytics and Optimization for Smart Industry,Ministry of Education,Northeastern University,Shenyang 110169,China [2]College of Veterinary Medicine,Sichuan Agricultural University,Chengdu 625014,China [3]School of Physical Education,Shanxi University,Taiyuan 030006,China

出　　处：《iLIVER》2024年第3期41-51,共11页国际肝胆健康（英文）

基　　金：Supported by National Training Program of Innovation and Entrepreneurship for Undergraduates(202410145118).

摘　　要：Background and aims:Polygonum cuspidatum Sieb.et Zucc.(P.cuspidatum)and its active components have been clinically proven to have anti-hepatocellular carcinoma effects.However,the potential targets of P.cuspidatum for these effects have not yet been revealed.Methods:We used network pharmacology and single-cell transcriptomic analysis with molecular docking to elucidate the active components and targets of P.cuspidatum for hepatocellular carcinoma.Results:CDK1,ESR1,HSP90A11,and MAPK1 were shown to be the key targets of P.cuspidatum for hepatocellular carcinoma.P.cuspidatum was found to be likely correlated with the improved abnormal expression of CDK1 and ESR1 and the poor prognosis of HSP90AA1 and MAPK1.CDK1 was identified as the most potential antihepatocellular carcinoma target of P.cuspidatum.Among the active components of P.cuspidatum,physcion diglucoside was found to have the most potential to treat hepatocellular carcinoma by targeting CDK1.Conclusion:Our study provides novel insights into the anti-hepatocellular carcinoma pharmacological effects of P.cuspidatum,which could serve as a scientific basis for its development as a medicinal resource and the targeting of CDK1 for hepatocellular carcinoma treatment.

关 键 词：Hepatocellular carcinoma Network pharmacology Molecular dynamics simulation Molecular docking Polygonum cuspidatum Single-cell transcriptomic analysis 

分 类 号：R735.7[医药卫生—肿瘤]