| Autor: |
Gogoi, Pinku, Kumar, Amit, Dutta, Nibedita Baruah, Das, Aparoop, Baishya, Gakul |
| Předmět: |
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| Zdroj: |
Journal of Biologically Active Products from Nature; Jun2023, Vol. 13 Issue 3, p265-283, 19p |
| Abstrakt: |
The present study describes the isolation and structural elucidation of bioactive natural products from the hydro ethanol extract of Dilenia indica L. barks (DIHEEB) and their inhibitory activity against α-amylase and α-glucosidase enzymes. Some natural products including n-nonyl oleate (1), stigmasterol (2), β-sitotenone (3), betulin (4), and betulinic acid (5) were isolated from the DIHEEB extract. These natural products were characterized through IR, NMR, and mass spectroscopy. Among all these compounds, 4 and 5 have shown significant activity to inhibit α-glucosidase and α-amylase, which proves their anti-diabetic effect. The α-amylase and α-glucosidase inhibitory activity of 4 (α-amylase: IC50 68.79±1.6 μg/ml; α-glucosidase: IC50 69.19±1.8 μg/ml;) are very much comparable with known anti-diabetic drug acarbose (IC50 64.70±1.6 μg/ml). But compound 5 also shows a comparable extent of activity against α-amylase and α-glucosidase and it is also well established in the literature. Molecular docking and other in-silico properties were studied to elucidate the interactions and conformations of the isolated molecules with the target protein enzyme. With minimal conformational energy, 4 and 5 bind to the α-amylase (PDB ID: 4GQR) and α-glucosidase (PDB ID: 3A4A) enzymes, as proved by their respective docking score (-8.2 and -9.4 kcal/mol) and having different types of binding interactions. Also, the pharmacokinetics (PK), drug-likeness scores (DLS), and well permeability properties were studied along with no violation of Lipinski's rule. Both in vitro and in silico results suggest that D. indica could be a potential source of anti-diabetic formulations. [ABSTRACT FROM AUTHOR] |
| Databáze: |
Complementary Index |
| Externí odkaz: |
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