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Inhibition of Oroxyloside Against Two Sources of α-Amylase/α-Glucosidase: Spectral Analysis, Computer Simulation, and
Yuan Li1, Suqing Wang1, Yutong Du1
1The College of Chemistry, Changchun Normal University, Changchun, China.
Oroxyloside effectively inhibits four key enzymes, including porcine pancreatic α-amylase and Aspergillus niger α-glucosidase. This natural compound shows stronger inhibitory effects than acarbose, offering potential therapeutic applications.
Area of Science:
- Biochemistry
- Enzymology
- Pharmacology
Background:
- Enzyme inhibition is crucial for managing metabolic disorders.
- α-amylase and α-glucosidase are key targets for diabetes treatment.
- Oroxyloside is a natural compound with potential therapeutic properties.
Purpose of the Study:
- To compare the inhibitory effects of oroxyloside on four different enzymes.
- To elucidate the mechanism of inhibition.
- To evaluate oroxyloside as a potential therapeutic agent.
Main Methods:
- Spectral analysis (UV-Vis, fluorescence spectroscopy).
- Computer simulations (molecular docking, molecular dynamics).
- mm-PBSA calculations for binding free energy.
- Enzyme inhibition assays.
Main Results:
- Oroxyloside potently inhibited Aspergillus niger α-glucosidase (ANG) and porcine pancreatic α-amylase (PPA).
- Mixed-type inhibition was observed for all four enzymes: ANG, Saccharomyces cerevisiae α-glucosidase (SCG), PPA, and Bacillus subtilis α-amylase (BSA).
- Hydrogen bonds and van der Waals forces mediated the interactions, causing enzyme structural changes.
Conclusions:
- Oroxyloside demonstrates significant inhibitory activity against α-amylase and α-glucosidase.
- Its inhibitory potency is superior to acarbose.
- Oroxyloside is a promising candidate for developing new enzyme-inhibiting drugs.
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