Protein

Chlorogenic Acid

Binding Affinity

(kcal/mol)

Interacting Residues

Hydrogen Residues

Hydrophobic Residues

Salt Bridges (No.)

Acetylcholine

−9.3

Ser (125, 293), Tyr (124, 337), Arg 296, Phe 295

Phe (297, 338), Val 294, Leu 289, Thr 83, Asp 74, Asn 87, Gly 121, Trp 86, His 447

Arg 296 (1), Phe 295 (1)

GSK-3β

−6.9

Ser 236, Leu (207, 329), Arg 328

Arg 209, Val (208, 240), Gly 176, Thr (235, 330, 326), Ser (174, 237), Pro (326, 331), His 173

Arg 209 (1), Ser 236 (2)

IL-10

−6.1

Val 124, Ala 139

Phe (128, 146), Ile 145, Glu 142, Ala 127, Leu 131, Lys 138, Met 140

-

Tau Protein

−6.8

Tyr 19, Asn 50, Asp 20, Glu 89, Lys 49

Asp (20, 21, 51), Lys 85, Arg (18, 55), Gly 54, Glu 17, Val 51

Lys 49 (1), Arg 56 (1), Arg 127 (2)

TNFα

−6.5

Asp (140, 143), Lys 65, Pro 20, Gly 66

Phe 144, Ala 145, Glu 23, Pro 139, Gly (24, 66), Gln 67, Tyr 141, Leu 142

-