Network pharmacology and molecular docking reveal the potential inner mechanism between sensitive skin and hyperpigmentation

Abstract

Background: Sensitive skin affects a substantial portion of the global population and has significant implications for skin health and well-being. In addition to unpleasant sensory effects, individuals with sensitive skin were likely to be more susceptible to hyperpigmentation. However, the association between sensitive skin and hyperpigmentation, as well as the underlying molecular mechanisms, remain unclear. Objective: This study aims to investigate the correlation and intrinsic mechanisms between sensitive skin and hyperpigmentation through network pharmacology combined with molecular docking. Materials and Methods: The targets associated with sensitive skin and hyperpigmentation were collected from the human gene database, GeneCards. Subsequently, the protein-protein interaction (PPI) network, Kyoto Encyclopedia of Genes and Genomes (KEGG), and Gene Ontology (GO) enrichment analysis were performed to explore the biological connections between sensitive skin and hyperpigmentation. Additionally, the targets of 15 active compounds with reported lightening effects were collected from TCMSP, BATMAN and SymMap databases. Target analysis and molecular docking were performed to identify potential candidates for addressing hyperpigmentation on sensitive skin. The anti-melanogenesis effect of the identified candidate was verified in B16F10 cells. Results: A total of 16971 sensitive skin targets and 11382 hyperpigmentation targets were screened, and 9693 overlapping targets were identified, with a core set comprising 164 targets. The combination of PPI network, KEGG and GO analysis revealed the key role of tyrosinase and immune-mediated inflammation in pigmentation on sensitive skin. Among the 15 active compounds, oxyresveratrol was identified as having a high correlation with the core set targets and predicted strong inhibition of Tyrosine-protein Kinase Kit. The application of oxyresveratrol exhibited a dose-dependent suppression of melanin production in B16F10 cells. Conclusion: This study suggested the crucial roles of immune-mediated inflammation in sensitive skin and hyperpigmentation, as well as highlighted the potential of oxyresveratrol in addressing hyperpigmentation on sensitive skin. These comprehensive findings provide a deeper understanding of the connection mechanism between sensitive skin and hyperpigmentation, offering new insights for the development of targeted treatments and interventions.

Keywords

• Sensitive skin
• Hyperpigmentation
• Oxyresveratrol
• Network pharmacology
• Molecular docking