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Excited-state genistein and its methoxy derivatives with improved antioxidant activity: DFT/TD-DFT calculations, molecular docking, and molecular dynamic simulation

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Oxidative stress from excessive accumulation of ROS drives several diseases, highlighting the need for efficient antioxidants. The antioxidant activity of excited-state genistein (Gen) and its methylated derivatives (5-MG, 4'-MG, and 7-MG) is systematically e... ...