Table 2 Binding affinities in kcal/mol and identified interaction sites of glucose and quercetin with bovine serum albumin, amyloid beta-peptide (1–42), and amyloid-beta (1–42) fibrils

Bovine serum albumin

Binding score (kcal/mol)

− 5.63 ± 0.05^a

− 8.67 ± 0.09^b

Hydrogen bond

Tyr156, Arg198, Glu291

Thr190, Glu424, Arg435

Pi-Alkyl

Leu189, Ala193, Arg196

Pi Cation

Arg458

Amyloid beta-peptide (1–42)

Binding score (kcal/mol)

− 3.77 ± 0.05^a

− 5.37 ± 0.05^b

Hydrogen bond

Val12, Gln15

Gln15, Lys16

Pi-Alkyl

Val12

Amyloid beta (1–42) fibrils

Pi-sigma

Binding score (kcal/mol)

− 4.57 ± 0.05^a

− 5.93 ± 0.13^b

Hydrogen bond

Asp23, Asn27, Lys28

Asn27, Lys28

Pi-Alkyl

Ala30

Gly29