Unveiling the Therapeutic Potential of “Taikong Blue” Lavender Essential Oil and Its Key Compounds in Skin Problems via Network Pharmacology and In Vitro Validation

BACKGROUND: Taikong Blue Lavender Essential Oil (TLEO) is derived from a proprietary space-bred cultivar of Lavandula angustifolia and cultivated under pristine conditions in Xinjiang, China. TLEO has long been used by regional people to treat various skin disorders such as hyperpigmentation, trans-epidermal water loss, collagen degradation, and poor wound healing. Despite the ethnopharmacological applications of TLEO, the molecular basis of its dermatological efficacy remains poorly defined. METHOD: This study integrated network pharmacology, molecular docking, and in vitro assays to systematically investigate how TLEO works against inflammatory skin conditions, focusing on its key compounds and biological targets. RESULTS: A total of 66 skin disorder-related genes were identified through network pharmacology, with gene enrichment analyses highlighting the TNF signaling pathway as a critical mediator. Protein-protein interaction analysis revealed MMP9, EGFR, and PTGS2 as core targets. Molecular docking confirmed that linalool and linalyl acetate, the primary constituents of TLEO, exhibited moderate binding affinities with these targets. In vitro experiments using TNF-α-stimulated HaCaT cells demonstrated that treatment with 0.01% TLEO significantly (p < 0.05) reduced oxidative stress markers (NO, ROS, MDA), restored antioxidant enzymes (SOD, CAT), and downregulated inflammatory cytokines (IL-6, IL-1β, IL-8). TLEO also inhibited the phosphorylation of p38 MAPK and NF-κB p65, suppressed PTGS2 and MMP9 expression, and restored EGFR levels, indicating anti-inflammatory and barrier-restorative functions. CONCLUSIONS: The study establishes a scientific foundation for the use of TLEO as a multifunctional ingredient in dermatological applications and highlights its value as a sustainable crop for regional economic development in Xinjiang.