|
| Pharmacodynamic material basis and mechanism of Sophorae Tonkinensis Radix et Rhizoma against liver cancer:an exploration based on UPLC-Q-TOF/MS,network pharmacology and molecular docking |
| Hits 651 Download times 498 Received:August 20, 2023 |
| View Full Text View/Add Comment Download reader |
| DOI
10.11656/j.issn.1672-1519.2023.12.16 |
| Key Words
Sophora tonkinensis;liver cancer;component identification;network pharmacology;molecular docking |
| Author Name | Affiliation | E-mail | | WANG Xiaowen | School of Chinese Materia Medica, Tianjin University of Traditional Chinese Medicine, Tianjin 301617, China | | | ZHANG Yue | School of Chinese Materia Medica, Tianjin University of Traditional Chinese Medicine, Tianjin 301617, China | | | HU Luyao | School of Chinese Materia Medica, Tianjin University of Traditional Chinese Medicine, Tianjin 301617, China | | | SHU Lexin | School of Chinese Materia Medica, Tianjin University of Traditional Chinese Medicine, Tianjin 301617, China | | | LIU Yanpu | Shandong Guangtongbao Pharmaceuticals Co., Ltd., Qingzhou 262500, China | | | WEI Jinxia | School of Chinese Materia Medica, Tianjin University of Traditional Chinese Medicine, Tianjin 301617, China | | | CHENG Wenbo | Mass Spectrometry Application Center, Tianjin Medical Mass Spectrometry Precision Diagnosis Enterprise Key Laboratory, Tianjin 301617, China | chengwb@sibet.ac.cn | | CAI Ting | Ningbo Huamei Hospital, University of Chinese Academy of Sciences, Ningbo 315010, China | caiting@nbu.edu.cn |
|
| Abstract
|
| [Objective] To explore the pharmacodynamic material basis and mechanism of Sophorae Tonkinensis Radix et Rhizoma against liver cancer based on ultra-high pressure liquid chromatography tandem four-stage rod time-of-flight mass spectrometry(UPLC-QTOF-MS/MS) technique,network pharmacology and molecular docking. [Methods] UPLC-Q-TOF/MS technique was used to quickly identify the chemical components of Sophorae Tonkinensis. Pharm Mapper and Swiss Target Prediction were used to collect and predict component targets,followed by the search of liver cancer-related targets with GeneCards and DrugBank. The intersection targets of components of Sophorae Tonkinensis and liver cancer were obtained using Venny 2.1.0. Cytoscape 3.7.2 was used to construct the“chemical component-target-disease” network,to screen potential active components of Sophorae Tonkinensis against liver cancer.Protein-protein interaction(PPI) network was constructed using STRING to uncover the core targets of Sophorae Tonkinensis against liver cancer.,which were subjected to Gene Ontology(GO) and Kyoto Encyclopedia of Genes and Genomes(KEGG) enrichment analysis based on DAVID database. and the “chemical component-target-pathway” network was constructed. The binding activity of the active components to the target proteins of Sophorae Tonkinensis against liver cancer and core target proteins was verified by molecular docking technology. Verify the anti hepatoma effect of Trifolirhizin,Oxymatrine and Matrine by cell activity test. [Results] UPLC-Q-TOF/MS revealed 23 ingredients of Sophorae Tonkinensis and a total of 33 intersection targets of Sophorae Tonkinensis components and the disease were obtained,PPI,GO,and KEGG analyses showed that Sophorae Tonkinensis presumedly acted on cyclin D1(CCND1),serine/threonine kinase 1(AKT1),receptor tyrosine kinase 2(ERBB2),epidermal growth factor receptor(EGFR),estrogen receptor 1(ESR1),and other targets through active components such as matrine,oxymatrine,6,8-diprenylkaempferol,syringaresinol and shandougenine A,and regulated hypoxia-inducible factor(HIF-1),receptor for advanced glucation end products(AGE-RAGE),phosphatidylinositol 3-kinase and protein kinase B(PI3K/AKT),receptor tyrosine kinase(ErbB),and other signaling pathways to play the role of anti hepatoma.Molecular docking verified a good binding ability of the potential active ingredients of Sophorae Tonkinensis to the core targets. Cell activity test showed that Trifolirhizin,Oxymatrine and Matrine had different anti hepatoma effects. [Conclusion] This study preliminarily indicates that Sophorae Tonkinensis is effective in playing the role of anti hepatoma through multiple components,multiple targets,and multiple pathways. This study provides a reference for elucidating the pharmacodynamic material basis and mechanism research of Sophorae Tonkinensis against liver cancer. |
|
|
|
|
|
|
|
