Cancer Research on Prevention and Treatment    2022, Vol. 49 Issue (07) : 655-661     DOI: 10.3971/j.issn.1000-8578.2022.21.1537
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Mechanism of Astragaloside IV on HepG2 Cells Based on Molecular Dynamics Simulation and Experimental Evaluation
ZHOU Zhipeng1, YANG Mingzhu2, CAI Mingqin3, XUE Juandi1, LYU Xiaoyun1
1. Institute of Integrated Chinese and Western Medicine, School of Basic Medicine, Lanzhou University, Lanzhou 730000, China; 2. Department of Pediatrics, Wuhan University People's Hospital, Wuhan 430000, China; 3. Department of Orthodontics, School of Stomatology, Lanzhou University, Lanzhou 730000, China
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Abstract Objective To reveal the mechanism of action of AS-IV on HepG2 cells based on molecular dynamics simulation and experimental evaluation. Methods We constructed a “drug-disease” network pharmacological map, analyzed the core genes of astragaloside IV (AS-IV) in HCC, screened key signaling pathways, and established a “drug-target” molecular dynamics model. In vitro assay was used to detect migration, proliferation and invasion abilities. Flow cytometry and qRT-PCR were used to detect the effect of AS-IV on the cell cycle and apoptosis, and the expression of core gene of HepG2. Results The core target of AS-IV acting on HCC was VEGFA. Compared with the control group, the high concentration of ASIV significantly inhibited the migration, invasion and proliferation of HepG2 cells, blocked the metastasis of HepG2 cells from G1 to G2 phase, promoted their apoptosis, down-regulated VEGFA expression and upregulated TGF-β1 expression. Conclusion AS-IV may inhibit the proliferation of hepatocellular carcinoma cells through multi-target and multi-pathway.
Keywords Hepatocellular carcinoma      Astragaloside IV      Molecular dynamics simulation      VEGFA     
ZTFLH:  R735.7  
Fund:Natural Science Foundation of Gansu Province(No.21JR7RA454)
Issue Date: 14 July 2022
 Cite this article:   
ZHOU Zhipeng,YANG Mingzhu,CAI Mingqin, et al. Mechanism of Astragaloside IV on HepG2 Cells Based on Molecular Dynamics Simulation and Experimental Evaluation[J]. Cancer Research on Prevention and Treatment, 2022, 49(07): 655-661.
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ZHOU Zhipeng
YANG Mingzhu
CAI Mingqin
XUE Juandi
LYU Xiaoyun
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