In vitro and in silico investigation of the α-amylase and α-glucosidase inhibitory activities of phenolic compounds from Phoenix dactylifera L fruit
摘要
The date fruit (Phoenix dactylifera L.) contains various bioactive compounds, such as anthocyanins, phenolic compounds, tannins, saponins, carotenoids, and flavonoids, which provide antioxidant, antimicrobial, anti-inflammatory, anticancer, and antidiabetic benefits. This study evaluates the inhibitory effects of ethanolic extracts from four date varieties (Khalt Khal, Jdar Lahmer, Rasse Tmar, and Majhoul) on alpha-amylase and alpha-glucosidase, enzymes involved in carbohydrate metabolism and postprandial blood glucose regulation. In 2021, IC50 values for α-glucosidase inhibition ranged from 1.975 to 7.198 mg/ml, and for α-amylase inhibition from 0.984 to 2.324 mg/ml. In 2022, the IC50 values for α-glucosidase inhibition were between 1.796 and 7.085 mg/ml, while for α-amylase inhibition, they ranged from 1.684 to 3.598 mg/ml. Among the varieties, Khalt Khal exhibited the strongest inhibition of both enzymes across both years. A correlation was observed between Khalt Khal and phenolic compounds such as epicatechin, catechin, vanillin, vanillic acid, and ellagic acid, which significantly contributed to enzyme inhibition, particularly against α-amylase. These findings suggest that these date varieties, particularly Khalt Khal, are promising natural sources of anti-diabetic agents. Molecular docking showed that the selected natural compounds bind effectively to α-amylase and α-glucosidase, with affinities comparable to acarbose. Molecular dynamics confirmed the stability of these complexes, especially for epicatechin and kaempferol with α-amylase. For α-glucosidase complexes, ellagic acid and epicatechin showed promising profiles compared to the acarbose.