Olax Imbricata-Derived Compounds with α-Glucosidase Activity: In Vitro Combined Molecular Docking

Seven compounds (1-7) from Olax imbricata were evaluated the inhibitory activity against α glucosidase. Compound 7 has exhibited stronger activity (IC50 = 34.75 μg/mL) than that of acarbose (IC50 = 187.50 μg/mL), a positive control. The molecular docking results revealed that compound 7 strongly inh...

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Bibliographic Details
Published in:Oriental journal of chemistry 2020-01, Vol.36 (2), p.262-267
Main Authors: Thi Vo, Nga, Thi My Nguyen, Huong, Thi Anh Nguyen, Tuyet, Minh Hoang, Hao
Format: Article
Language:English
Subjects:
Binding sites
Carbohydrates
Complex formation
Crystal structure
Diabetes
Enzymes
Glucose
Glucosidase
Hydrogen bonds
Hydrophobicity
Insulin resistance
Ligands
Metabolites
Molecular docking
Proteins
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Summary:Seven compounds (1-7) from Olax imbricata were evaluated the inhibitory activity against α glucosidase. Compound 7 has exhibited stronger activity (IC50 = 34.75 μg/mL) than that of acarbose (IC50 = 187.50 μg/mL), a positive control. The molecular docking results revealed that compound 7 strongly inhibits α-glucosidase due to the formation of a stable ligand-α-glucosidase complex via hydrogen bonds and hydrophobic interactions. The favorable complex formation of 7 with target enzyme gave the more negative docking score-DS (-28.52 kcal/mol) than that of acarbose (-23.01 kcal/mol). A slight inhibitory activity was observed for 4 (IC50 = 217 μg/mL, DS = -21.35 kcal/mol) while compounds 1, 2, 3, 5 and 6 giving IC50 values > 256 μg/mL and less negative binding energies have shown no effects on the α glucosidase inhibition.Graphical Abstract
ISSN:0970-020X
2231-5039
DOI:10.13005/ojc/360207