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| Study on the mechanism of Babaodan Capsules in the treatment of hepatocellular carcinoma based on network pharmacology and experimental validation |
| Hits 69 Download times 22 Received:October 31, 2024 |
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| DOI
10.11656/j.issn.1672-1519.2025.03.15 |
| Key Words
network pharmacology;Babaodan Capsule;hepatocellular carcinoma;molecular docking;STAT3 |
| Author Name | Affiliation | E-mail | | WU Shang | Innovation Institute for Artificial Intelligence in Medicine, Zhejiang University, Hangzhou 310018, China
College of Pharmaceutical Sciences, Zhejiang University, Hangzhou 310058, China | | | ZHAO Lu | College of Life Science, Zhejiang Chinese Medical University, Hangzhou 310053, China | | | ZHANG Ling | College of Life Science, Zhejiang Chinese Medical University, Hangzhou 310053, China | | | ZHANG Shujing | Innovation Institute for Artificial Intelligence in Medicine, Zhejiang University, Hangzhou 310018, China
College of Pharmaceutical Sciences, Zhejiang University, Hangzhou 310058, China | | | WANG Yingchao | Innovation Institute for Artificial Intelligence in Medicine, Zhejiang University, Hangzhou 310018, China
College of Pharmaceutical Sciences, Zhejiang University, Hangzhou 310058, China | wangyingchao@zju.edu.cn |
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| Abstract
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| [Objective] To explore the mechanism of Babaodan Capsules in the treatment of hepatocellular carcinoma（HCC） by network pharmacology methods. [Method] Multiple huge databases and literature were used to collect the chemical components，drug targets，and HCC disease targets of Babaodan Capsules. Constructed a “drug-component-target” network by Cytoscape 3.9.0. Constructed a protein-protein-interaction（PPI） network by selecting genes that intersect drug and disease targets. Selected genes with higher degree values in the network to complete gene oncology（GO） and kyoto encyclopedia of genes and genomes（KEGG） pathway enrichment analysis. Molecular docking verification of the core components and core targets of Babaodan Capsules was carried out by Autodock tools and Pymol. Finally，the target and pathway of action of Babaodan Capsules were verified through cell experiments. [Results] 115 potential active compounds and 393 targets were obtained from Babaodan capsules，among which a total of 346 targets intersected with HCC. By constructing and analyzing a network diagram，it was determined that the main active ingredients of Babaodan Capsules include estradiol，quercetin，chenodeoxycholic acid，notoginsenoside，ursolic acid，etc. There are 10 core targets including signal transducer and activator of transcription 3（STAT3），tumor protein p53（TP53），catenin beta 1（CTNNB1），etc. Through enrichment analysis，2 781 GO biological processes，119 cell components，and 275 molecular functions were obtained，resulting in 187 KEGG pathways. The molecular docking results indicated that the core components of Babaodan Capsules such as estradiol，quercetin，and ursolic acid had a good binding activity with core targets such as STAT3，TP53，and CTNNB1. Cell experiments confirmed that Babaodan Capsules induced apoptosis in liver cancer cells by regulating targets such as STAT3 and TP53 significantly. [Conclusion] The main pharmacodynamic substances of Babaodan Capsules in the treatment of HCC include saponins，cholic acids，flavonoids，etc. The specific mechanism is related to the regulation of STAT3 and other targets and TNF-α / NF-κB signaling pathways. |
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