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

		Glucose	Quercetin
Bovine serum albumin	Binding score (kcal/mol)	− 5.63 ± 0.05a	− 8.67 ± 0.09b
	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 ± 0.05a	− 5.37 ± 0.05b
	Hydrogen bond	Val12, Gln15	Gln15, Lys16
	Pi-Alkyl		Val12
Amyloid beta (1–42) fibrils Pi-sigma	Binding score (kcal/mol)	− 4.57 ± 0.05a	− 5.93 ± 0.13b
	Hydrogen bond	Asp23, Asn27, Lys28	Asn27, Lys28
	Pi-Alkyl		Ala30
			Gly29

Different superscript in the row indicates significant differences at p < 0.05