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Through molecular docking and molecular dynamics simulations, the binding modes of these natural tyrosinase inhibitors with human tyrosinase (hTYR) and mushroom tyrosinase (mTYR) were systematically explored

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Its substrate site-targeting mechanism inhibiting NNMT at the nicotinamide binding site provides selectivity over related methyltransferases and other enzymes in the NAD salvage pathway, making it a precise tool compound for studying NNMT-specific enzymatic activity in controlled laboratory systems

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