Molecular Docking and Molecular Dynamics Studies of Antidiabetic Phenolic Compound Isolated from Leaf Extract of Englerophytum magalismontanum (Sond.) T.D.Penn.

Autor: Olaokun OO; Department of Biology, School of Science and Technology, Sefako Makgatho Health Science University, Molotlegi Street, Ga-Rankuwa, Pretoria 0204, South Africa., Manonga SA; Department of Biology, School of Science and Technology, Sefako Makgatho Health Science University, Molotlegi Street, Ga-Rankuwa, Pretoria 0204, South Africa., Zubair MS; Natural Product Research Group, Department of Pharmacy, Faculty of Science, Tadulako University, Palu-Central Sulawesi 94118, Indonesia., Maulana S; Natural Product Research Group, Department of Pharmacy, Faculty of Science, Tadulako University, Palu-Central Sulawesi 94118, Indonesia., Mkolo NM; Department of Biology, School of Science and Technology, Sefako Makgatho Health Science University, Molotlegi Street, Ga-Rankuwa, Pretoria 0204, South Africa.
Jazyk: angličtina
Zdroj: Molecules (Basel, Switzerland) [Molecules] 2022 May 16; Vol. 27 (10). Date of Electronic Publication: 2022 May 16.
DOI: 10.3390/molecules27103175
Abstrakt: Englerophytum magalismontanum , a medicinal plant with ethnopharmacology use, has a dearth of information regarding its antidiabetic properties. This study evaluated the crude methanol leaf extract of E. magalismontanum and its fractions for total phenolic content, antioxidant activity, and digestive enzymes (α-amylase and α-glucosidase) inhibitory activity using standard methods. The total phenolic content (56.53 ± 1.94 mg GAE/g dry extract) and DPPH Trolox antioxidant equivalent (TAE) (1.51 ± 0.66 µg/mL) of the methanol fraction were the highest among the fractions. The IC 50 values of the methanol fraction against α-amylase (10.76 ± 1.33 µg/mL) and α-glucosidase (12.25 ± 1.05 µg/mL) activities were also high. Being the most active, the methanol fraction was subjected to bio-assay guided column chromatography-based enzyme inhibition to obtain a pure compound. The phenolic compound isolated and identified as naringenin inhibited α-amylase and α-glucosidase with IC 50 of 5.81 ± 2.14 µg/mL and 4.77 ± 2.99 µg/mL, respectively. This is the first study to isolate naringenin from E. magalismontanum extract. The molecular docking and molecular dynamics studies demonstrated naringenin as a promising lead compound in comparison to acarbose for the treatment of diabetes through the inhibition of α-glucosidase activity.
Databáze: MEDLINE