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. 2022 Aug 30;15(9):1081. doi: 10.3390/ph15091081

Table 3.

Molecular docking predictions.

Compound Lipase (kcal/mol) Dipeptidyl Peptidase IV (kcal/mol) α-Glucosidase (kcal/mol) α-Amylase (kcal/mol)
Quercetin 3-d-Glucoside −8.7 −7.1 −5.7 −8.4
Malvidin 3-O-Glucoside −7.7 −6.7 −5.4 −7.8
Delphinidin 3-O-Glucoside −8.5 −6.9 −6.4 −8.0
Cyanidin 3-Glucoside −8.6 −7.0 −6.4 −8.3
Petunidin 3-O-Glucoside −8.5 −6.9 −6.4 −8.0
Pelargonidin 3-Glucoside −8.7 −6.8 −5.5 −8.0
Peonidin 3-O-Glucoside −8.5 −6.3 −6.2 −8.5
(-) Epicatechin −9.2 −6.9 −7.3 −8.6
Ellagic acid −9.3 −7.4 −7.7 −8.6
p-Coumaric acid −6.2 −6.4 −5.6 −6.4
Gallic acid −6.1 −6.4 −5.5 −6.4
Caffeic acid −6.7 −6.7 −6.7
Catechin −9.2 −6.6 −7.5 −8.9
Salicylic acid −6.2 −5.4 −5.4 −5.9
Orlistat −6.2 - - -
Sitagliptin - −6.7 - -
Acarbose - - −6.6 −7.2

Theoretical binding affinity (kcal/mol) of polyphenols identified in berry extracts. “-“ indicates that the compound was not tested as an inhibitor.