Screening of Dietary Flavonoids for Synergistic α-Glucosidase Inhibition with 1-Deoxynojirimycin and Elucidation of the Underlying Molecular Mechanism

1-Deoxynojirimycin (DNJ), a well-characterized α-glucosidase inhibitor, remains an important target for dose-reduction and formulation strategies. In the present study, we evaluated the individual and combined α-glucosidase inhibitory activities of nine dietary flavonoids with DNJ, quantified synergistic effects using the combination index (CI) method, and elucidated the molecular mechanism through integrated enzyme kinetics, multi-spectroscopic techniques and molecular docking. (+)-Catechin exhibited the strongest inhibitory activity (IC50 = 33.7 ± 2.7 μM), and its combination with DNJ produced synergistic inhibition across all doses (CI < 0.7). Kinetic analysis confirmed that DNJ acted as a competitive inhibitor, while (+)-catechin functioned as a non-competitive inhibitor. Fluorescence quenching assays revealed that (+)-catechin pre-incubation increased the binding affinity of DNJ to α-glucosidase by 393%. Circular dichroism spectroscopy showed that (+)-catechin induced a marked β-sheet-to-α-helix conformational conversion, and co-incubation of both inhibitors produced more secondary structural changes than either inhibitor alone. Molecular docking further confirmed their distinct binding sites. These findings demonstrate that (+)-catechin synergistically potentiates DNJ activity through allosteric conformational modulation, providing an experimental basis for optimizing DNJ-containing formulations.

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Journal
Molecules
Published
2026-08-20
DOI
https://doi.org/10.3390/molecules31162907
Primary Topic
Natural Antidiabetic Agents Studies
Type
article
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article

Screening of Dietary Flavonoids for Synergistic α-Glucosidase Inhibition with 1-Deoxynojirimycin and Elucidation of the Underlying Molecular Mechanism

Baogang Wang, Jinping Wang, Jun Liu, Wei Wang et al.
Molecules
Natural Antidiabetic Agents Studies
article

Screening of Dietary Flavonoids for Synergistic α-Glucosidase Inhibition with 1-Deoxynojirimycin and Elucidation of the Underlying Molecular Mechanism

Baogang Wang, Jinping Wang, Jun Liu, Wei Wang, Yonghong Zhao, Lei Zeng, Zhuming Liu, Lin Wang, Zhongshan Xiao
article en

Abstract

1-Deoxynojirimycin (DNJ), a well-characterized α-glucosidase inhibitor, remains an important target for dose-reduction and formulation strategies. In the present study, we evaluated the individual and combined α-glucosidase inhibitory activities of nine dietary flavonoids with DNJ, quantified synergistic effects using the combination index (CI) method, and elucidated the molecular mechanism through integrated enzyme kinetics, multi-spectroscopic techniques and molecular docking. (+)-Catechin exhibited the strongest inhibitory activity (IC50 = 33.7 ± 2.7 μM), and its combination with DNJ produced synergistic inhibition across all doses (CI < 0.7). Kinetic analysis confirmed that DNJ acted as a competitive inhibitor, while (+)-catechin functioned as a non-competitive inhibitor. Fluorescence quenching assays revealed that (+)-catechin pre-incubation increased the binding affinity of DNJ to α-glucosidase by 393%. Circular dichroism spectroscopy showed that (+)-catechin induced a marked β-sheet-to-α-helix conformational conversion, and co-incubation of both inhibitors produced more secondary structural changes than either inhibitor alone. Molecular docking further confirmed their distinct binding sites. These findings demonstrate that (+)-catechin synergistically potentiates DNJ activity through allosteric conformational modulation, providing an experimental basis for optimizing DNJ-containing formulations.

MoleculesVol. 31(16)
Xinyang Agriculture and Forestry University (CN), Nanyang Medical College (CN), ZheJiang Institute For Food and Drug Control (CN), Puyang Vocational and Technical College (CN)
Openalex Percentile: Top 9%
Natural Antidiabetic Agents Studies
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