Virtual Screening of α-glucosidase and α-amylase Inhibitors from Soybean Peptides and Its Activity Validation in Vitro
The objective:To delay the digestion of carbohydrates by inhibiting the activity of carbohydrate digestive en-zymes,thereby preventing and controlling the effects of diabetes has become a research hotspot across multiple fields.β-Conglycinin is the most abundant functional protein in soy protein,but it is unknown whether the peptides produced af-ter gastrointestinal digestion possess the activity to inhibit carbohydrate digestive enzymes.Method:β-Conglycinin was subjected to simulated gastrointestinal digestion,and α-glucosidase inhibitory peptides and α-amylase inhibitory peptides were selected through virtual screening and ADMET prediction,and the inhibitory effects of the peptides on α-glucosi-dase and α-amylase were tested.Results:β-Conglycinin was virtually digested into 95 small molecular peptides by pepsin,trypsin,and chymotrypsin;eight α-glucosidase inhibitory peptides and α-amylase inhibitory peptides were select-ed;it was found that hydrogen bonds and electrostatic interactions play an important role in the binding of peptides withα-glucosidase and α-amylase;in vitro verification found that the tetrapeptide EASY has a strong inhibitory effect on α-glucosidase,with an IC50 value of 208.6 μg/mL,and no obvious inhibitory effect on α-amylase was observed.Conclu-sion:The α-glucosidase inhibitory peptide EASY possesses the activity to inhibit carbohydrate digestive enzymes and may become a potential inhibitor for controlling diabetes.
NETL
NSTL
万方数据
