Molecular docking of phenolic compounds and screening of antioxidant and antidiabetic potential of Olea europaea L. Ethanolic leaves extract

Oxidative stress has a crucial role in diabetic pathophysiology, therefore consuming naturally derived antioxidants as a remedial target. This study examines the naturally occurring antioxidant and antidiabetic of Olea europaea L. ethanolic leaves extract. Olea europaea L. leaves were macerated (OLE) by using absolute ethanol. Phytochemical and physiochemical analysis of OLE was screened using standard methods. The antioxidant effects were examined by DPPH (1, 1-diphenyl-2-picrylhydrazil) radical scavenging assay. In vitro antidiabetic was assayed by alpha-amylase enzyme inhibition study. Ethanolic extraction of OLE by maceration technique, 10% yield. Loss on drying, foreign organic matters and total ash value of OLE showed 2%, 0.2% and 16.5%, respectively. Phytochemical test on OLE confirmed saponin, flavonoid, glycoside, tannin, phenol and carbohydrate presences. The total phenolic and flavonoid contents of OLE is 490 mg GAE/g and 855 mg RUE/g of extract, respectively. OLE (IC50 38.37 +/- 0.26 mu g/ml) showed functional DPPH scavenging assay comparable to ascorbic acid (IC50 30.37 +/- 0.17 mu g/ml). In the alpha-amylase inhibitory activity, Acarbose showed an IC50 value of 20.06 +/- 0.19 mu g/ml, while OLE portrayed an IC50 value of 37.99 +/- 0.15 mu g/ml. The kinetic studies revealed that all samples at high concentrations reacted within a very short time, and a steady state was reached almost immediately. The lowest concentration showed slow kinetic behaviour implied longer periods before the constant state was reached. Molecular docking studies evidenced that most of the phenolic compounds of OLE interact with the active site of Human pancreatic a-amylase through the hydrogen bonding and hydrophobic interaction confirming the alpha-amylase inhibitory effect. The results suggest that Olea europaea L. has been a conceivable natural bioactive source as an antioxidant and an antidiabetic agent. (C) 2021 The Author(s). Published by Elsevier B.V. on behalf of King Saud University.

Automated summary

The study showed that the ethanolic extract of Olea europaea L. leaves exhibited significant antioxidant and antidiabetic properties, with high levels of phenolic compounds and flavonoids. The extract effectively scavenged free radicals and inhibited the activity of alpha-amylase, suggesting its potential as a natural bioactive source for managing diabetes and oxidative stress.