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2 ADME property prediction MD simulation can construct dynamic behavior models of drug molecules in physiological environments, quantitatively predicting absorption, distribution, metabolism, and excretion characteristics by calculating parameters such as ligand-membrane protein interactions and binding free energies of metabolic enzymes (Zheng et al., 2021

10.1253/circj.CJ-08-1148 Circ J

Patients taking GLP-1R agonists lost weight and had a lower risk of knee surgery than patients not taking GLP-1R agonists

Because the reaction of NO with free thiols competes with the same substrate (e.g., GSH), the excessive NO formation may further lead to significant depletion of GSH in SZ