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In elucidating and validating the mechanisms of action of drugs, bioinformatics utilizes technologies such as NP, molecular docking and MD simulation to simulate interactions between drugs and targets, constructing drug-target networks, predicting drug action targets and pathways, and further analyzing mechanisms of action, providing theoretical support for drug development and clinical applications (Dahl et al., 2002

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Conversely, Nrf2 inhibition blocks antioxidant gene activation, resulting in ROS accumulation, macromolecular damage, and cell death