Mechanism of Astragaloside A Against Lung Adenocarcinoma Based on Network Pharmacology Combined with Molecular Dynamics Simulation Technique

This study investigates the mechanisms of Astragaloside A (AS-A), a component of Astragalus, in combating lung adenocarcinoma using network pharmacology and molecular dynamics. A protein-protein interaction network identified 10 key targets, including STAT3 and AKT1, involved in oxidative stress and the PI3K-Akt signalling pathway. Molecular docking and dynamic simulations assessed AS-A's binding stability with these targets, showing stable protein-ligand complexes. Cell experiments confirmed AS-A's ability to regulate key signalling molecules in lung adenocarcinoma models. The findings offer insights into AS-A's anticancer mechanisms and suggest new research directions for traditional Chinese medicines.