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. Author manuscript; available in PMC: 2025 Mar 7.
Published in final edited form as: Results Chem. 2024 Dec 15;13:101970. doi: 10.1016/j.rechem.2024.101970

Table 8.

Binding affinity and amino acid residues.

Ligand Binding affinity (kcal mol) Hydrogen Bonds Hydrophobic Bonds
Native ligand −9,6 Asn332, Lys277, Gly331, His328, Ala326 Leu386, Val250, Val258, Ala275
Delphinidin 3-glucoside −10,4 Lys277, Thr325, Ala256 Val258, Leu386, Val250, Leu305, Ala275, Cys396
Cyanidin 3-O-galactoside −10,3 Asp397, Glu290, Lys277, Phe327 Leu386, Val258, Val250, Ala275, Leu305, Cys396
Cyanidin 3-glucoside −10,2 Lys277, Asp397, Glu290, Phe327 Val258, Leu386, Val250, Ala275, Cys396, Leu305
Pelargonidin-3-glucoside −9,8 Ala256, Asp397 Val258, Leu386, Ala275, Lys277, Leu305, Cys396, Val250
Peonidin 3-galactoside −9,1 Asp397, Ser383, Thr325, Leu323 Leu386, Val250, Leu305, Lys277, Ala275, Cys396, Ala256, Val258, Asn332
Peonidin-3-glucoside −9,1 Thr325, Ser383, Leu323, Gly253, Phe327 Leu386, Ala275, Cys396, Leu305, Lys277, Val250
Pirfenidone −7,9 Leu 386, Val258, Ala275, Phe327, Leu305