1,†Chitkara College of Pharmacy, Chitkara University, Rajpura-140401, Punjab, India
2Department of Pharmacology, Laureate Institute of Pharmacy, Kathog, Distt. Kangra, H.P., India
Background: Diabetic wounds (DW) represent a condition associated with diabetes. They are challenging to restore, and existing therapeutic alternatives are restricted. This study utilized a network pharmacology approach to examine the therapeutic potential of Apigenin (API) for the treatment of DW.
Methods: Apigenin-related targets were gathered from SwissTargetPrediction, STITCH, and GeneCards, while diabetic wound-related targets were gathered from OMIM and GeneCards. Overlapping targets were determined using Venny 2.1.0. A protein-protein interaction (PPI) network was generated using STRING and visualized using Cytoscape to determine hub targets. Gene Ontology (GO) and KEGG pathway enrichment analysis was conducted using ShinyGO (FDR < 0.05). Molecular docking was performed to determine the binding affinity of apigenin against IL-6 (PDB: 4NI7) and TNF-α (PDB: 2AZ5), followed by molecular dynamics simulation to determine the stability of the complexes.
Results: A total of 514 overlapping targets were found between apigenin and diabetic wound-related genes. PPI analysis showed 482 nodes and 16114 edges, signifying a high degree of target interconnectivity. GO and KEGG enrichment analysis showed the significant role of inflammation, with the AGE-RAGE pathway being a prominent pathway. Apigenin showed binding affinities of -6.4 kcal/mol (IL-6) and -7.4 kcal/mol (TNF-α). Molecular dynamics simulation analysis showed the stability of ligand-protein complexes with similar RMSD/RMSF values.
Conclusion: The present study systematically proved the pharmacological targets and mechanisms of API in the treatment of DW. The current study provides important insights into the theoretical basis for DW treatment with API.
Keywords: apigenin, diabetic wound, network pharmacology, enrichment analysis, molecular docking, molecular simulation, AGE-RAGE pathway, IL-6, TNF-α.
How to cite this article: Dhankhar S, Chauhan S, Kumar V. Exploring Molecular Targets and Mechanisms of Apigenin in the Treatment of Diabetic Wound Healing by Network Pharmacology and Molecular Docking Analysis. Int J Drug Deliv Technol. 2026;16(15s): 980-996. DOI: 10.25258/ijddt.16.15s.110
Source of support: Nil.
Conflict of interest: None