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 | - |