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. 2021 Oct 1;22:49. doi: 10.1186/s12860-021-00386-2

Table 6.

Bonding interactions displayed by neoxanthin against Acetylcholinesterase (AChE) and Butyrylcholinesterase (BChE)

Bonding interactins AChE amino acid residues with positions BChE amino acid residues with positions
Favoured water bridge interaction with nitrogen atom Tyr_72, Asp_74, Thr_75, Gly_82, Trp_86, Tyr_124, His_284, Glu_285, Glu_292, and His_447 Asn_68, Ile_69, Asp_70, Gln_71, Ser_72, Gly_78, Ser_79, Trp_82, Leu_274, Ala_277, Ala_328, Phe_329, and Tyr_332
Hydrogen bonding interaction Tyr_72, Asp_74, Asn_87, Tyr_124, Tyr_337, and Tyr_341 Asn_68, Asp_70, Gln_71, Ser_72, Gly_78, Ser_79, Trp_82, Ala_328, and Tyr_332
Hydrophobic interaction Tyr_72, Leu_76, Trp_86, Trp_286, Leu_289, Val_294, Phe_297, Tyr_337, Phe_338, and Tyr_341 Met_81, Trp_82, Ala_277, Phe_278, Val_280, Tyr_282, Pro_285, Phe_329, Tyr_332, Trp_430, and Met_437
Ionic Interaction Asn_68 and Ile_69