Integrated in vitro, microarray, and network pharmacology analysis reveals the multi-target anti-diabetic potential of Vigna unguiculata
Introduction: Diabetes mellitus (DM), particularly type 2 DM (T2DM), is a chronic metabolic disorder requiring novel therapeutic approaches as the available therapies are not meeting the current challenges. This study investigates the anti-diabetic potential of Vigna unguiculata using a network pha...
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| Main Authors: | , , , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
AboutScience Srl
2025-08-01
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| Series: | Drug Target Insights |
| Subjects: | |
| Online Access: | https://journals.aboutscience.eu/index.php/dti/article/view/3495 |
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| Summary: | Introduction: Diabetes mellitus (DM), particularly type 2 DM (T2DM), is a chronic metabolic disorder requiring
novel therapeutic approaches as the available therapies are not meeting the current challenges. This study investigates
the anti-diabetic potential of Vigna unguiculata using a network pharmacology approach, supported by
in vitro and in silico analyses.
Methods: The plant was collected from Khyber Pakhtunkhwa, Pakistan, and subjected to hydroalcoholic extraction
and fractionation. In vitro assays included α-amylase, α-glucosidase, and aldose reductase. Target prediction
using STITCH and SwissTargetPrediction identified 88 common genes linked to T2DM. Protein-protein interaction
(PPI) network analysis highlighted key genes like EGFR, PTGS2, and TLR4 as central nodes in diabetes-related
pathways. Molecular docking was used to study the binding affinities of compounds.
Results: IC50 values were determined using IBM SPSS Statistics 21 software. The data underwent analysis using
one-way ANOVA followed by Dunnett’s multiple comparison test. Significance value was determined at *p < 0.05,
**p < 0.01 and ***p < 0.001. In-vitro assays demonstrated significant α-amylase, α-glucosidase, and aldose reductase
inhibitory activities. Phytochemical screening identified several bioactive compounds. Functional annotation
and KEGG pathway analysis confirmed these genes’ roles in crucial metabolic pathways. Virtual screening
revealed strong binding affinities of compounds like Stigmasterol, Luteoline, and Quercetin with GSK3B, PTGS2,
and TLR4. The Molecular Dynamics (MD) simulation, binding free energy calculations (MM-PBSA and MM-GBSA),
confirmed the results of Virtual screening.
Conclusion: In short, these findings underscore V. unguiculata as a promising source for anti-diabetic agents, supporting
further clinical trials for T2DM management.
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| ISSN: | 1177-3928 |