Network Pharmacology Integrated With Experimental Validation andMolecular Docking Revealed the Anti-inflammatory Effects ofCoconut Oil

Skin inflammation can be caused by biological factors, chemical, thermal, and the body’s immune system reactions. Virgin coconut oil (VCO) has traditionally been used as a moisturizer and anti-inflammatory agent. However, the exact molecular mechanism remains unclarified. In the present study, a network pharmacology technique was employed to uncover the active ingredients, their potential targets, and signaling pathways in coconut oil for the treatment of inflammation. Methods:inflammation was induced by carrageenan solution in rat paw and edema was measured. Then tissue pathology and inflammatory gene expression were evaluated. The bioactive compounds of coconut oil were screened from the databases. Coconut oil biological targets were obtained from Swiss target prediction and inflammation-related genes from Gencards and OMIM. Subsequently, The “Component-Target” network and protein–protein interaction (PPI) network were constructed, and hub genes were screened out by topological analysis. Gene ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) enrichment analyses were performed on genes in the PPI network and finally, Molecular docking simulation was performed to evaluate the binding activity between the predicted hub genes and the bioactive ingredients.Result:Coconut oil significantly reduced edema and infiltration of inflammatory cells in the tissue. A total of ۱۸ key active components in coconut oil interacted with ۷۲ inflammatory targets, the main one being IL-۶, PGST-۲, and MMP-۹. main compounds related to inflammation were Linoleic acid, Oleic acid, Capric acid, and Vanillic acid. Coconut oil reduced serum levels of TNF-↵ and IL-۶.Conclusion:This suggests that coconut oil has a potent anti-inflammatory action, thereby providing a scientific reference for clinical studies.

کلیدواژه ها:

Coconut oil ، active ingredients ، network pharmacology ، molecular docking ، anti-inflammatory