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AChE activity inhibition has been studied in various species, including Drosophila melanogaster exposed to dispersed blue-124 and black-9 textile dyes 57 , Electrophorus electricus subjected to bisphenol derivatives 52 ,and Periplaneta americana treated with 3-dimethylmaleic anhydride 16 .The binding energy (-7.0 kcal/mol), shows efficient binding of 4-NP with protein AChE, molecular docking study revealed that 4-NP was stabilized in the pocket of AChE mainly via interactions with hydrophobic residues i.e., Trp108, Tyr146, Leu152, Tyr155, ALa226, Phe315, Tyr355, Phe356, and Ile499.MD trajectory analysis showed that the AChE-4-NP complex remained stable throughout the 200 ns MD simulations in both runs