In silico study of wine anthocyanins and their polymeric pigments on human pancreatic α-amylase and salivary α-amylase

摘要

Polyphenols,such as procyanidins and anthocyanins,as naturalα-amylase inhibitors,have been extremely studied about their inhibitory activity in vitro.In this work,molecular docking was used to explore the efficacy of wine anthocyanins and their polymeric pigments to inhibit human pancreaticα-amylase(HPA)and salivaryα-amylase(HSA).Three residues,ASP197,GLU233 and ASP300 were proposed as main interacting residues with both HPA and HSA.Hydrogen bonds,π-πstacking,hydrophobic interaction and electrostatic interaction played important roles in binding.Polymeric pigments showed stronger affinity with HPA and might be a potentialα-amylase inhibitor.Moreover,according to the docking result of HSA,polymeric pigments exhibited more impact on astringency than anthocyanins.