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Molecular docking analysis was used to predict the binding mode between these two compounds and AChE

Carbamidomethylation of cysteine (+57 Da) was considered a fixed modification, while variable modifications included oxidation of methionine to methionine sulfoxide (+16 Da), deamidation of Asn to Asp (+1 Da), conversion of Asp to isoAsp, followed by the incorporation of a deuteron (+1 Da), and conversion of Asn to isoAsp, followed by the incorporation of a deuteron (+2 Da)