Mechanism of Astragaloside Ⅳ on HepG2 Cells Based on Molecular Dynamics Simulation and Experimental Evaluation
10.3971/j.issn.1000-8578.2022.21.1537
- VernacularTitle:基于分子动力学模拟和实验评价探讨黄芪甲苷对HepG2细胞的作用机制
- Author:
Zhipeng ZHOU
1
;
Mingzhu YANG
;
Mingqin CAI
;
Juandi XUE
;
Xiaoyun LYU
Author Information
1. Institute of Integrated Chinese and Western Medicine, School of Basic Medicine, Lanzhou University, Lanzhou 730000, China
- Publication Type:Research Article
- Keywords:
Hepatocellular carcinoma;
Astragaloside Ⅳ;
Molecular dynamics simulation;
VEGFA
- From:
Cancer Research on Prevention and Treatment
2022;49(7):655-661
- CountryChina
- Language:Chinese
-
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 AS-Ⅳ 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 up-regulated TGF-β1 expression. Conclusion AS-Ⅳ may inhibit the proliferation of hepatocellular carcinoma cells through multi-target and multi-pathway.
