Untargeted metabolomic, network pharmacology, and molecular docking of Sunda porcupine’s quills (Hystrix javanica, F. Cuvier 1823) extract for wound healing

BackgroundThe Sunda porcupine’s quills (Hystrix javanica, F. Cuvier 1823) have been traditionally used in Indonesian medicine for their pain-relieving properties, particularly toothaches. Additionally, Sunda porcupine is known for its skin’s impressive wound healing abilities, leading to speculating that the quills may also possess wound healing potential.ObjectiveThe objective of this study is to identify bioactive components in Sunda porcupine’s quills extract using UPLC-MS/MS and GC-MS, and to explore the wound healing potential of these compounds through network pharmacology and molecular docking analysis. Materials and methodsSunda porcupine’s quills were collected, dried at 50 °C, and extracted using 70% ethanol via maceration. The extract underwent metabolomic profiling using GC-MS and UPLC-MS/MS, with data analyzed through NIST-11 and databases such as ChemSpider and MassBank. Target proteins associated with skin wound healing were sourced from GeneCards, CTD, and PubMed, while the target proteins of Sunda porcupine’s quills active compounds were identified using SwissTargetPrediction and SEA server. Protein-protein interactions were analyzed with STRING, followed by enrichment analysis via DAVID. Molecular docking was performed using AutoDock-4.2, while drug-likeliness and toxicity were assessed using SwissADME and Protox II. Results were visualized in 2D and 3D using Discovery Studio Visualizer.Results and conclusionThirty-tow compounds were identified in the Sunda porcupine’s quills extract through UPLC-MS/MS and GC-MS analysis. Network pharmacology revealed that the extract targeted vital inflammatory markers, including IL6, IL1, and TNFα, which are involved in both skin wound healing and the active compounds of the Sunda porcupine’s quills extract. Molecular docking analysis showed that compounds such as resolvin-D2, hypoxanthine, carnitine, indoline, pentanedioic acid 2,4-dimethyl-dimethyl ester, (11α,13E,15S)-11,15-dihydroxy-9-oxoprost-13-en-1-oate, and 1-dodecanol displayed a potential inhibitory effect on proinflammatory cytokines (IL6, IL1, and TNFα) and on PPAR, which plays a role in cell proliferation during the wound healing process.