Anti-Inflammatory Effects of Pingyin Rose Essential Oil in LPS-Induced HaCaT Cells: An in Vitro and in Silico Study

Pingyin rose essential oil (PREO) is extracted from fresh petals exclusively cultivated in Shandong Province. This PREO has been used in traditional Chinese medicine (TCM) for decades to treat skin issues like excessive oxidative stress and inflammation. The purpose of this study was to assess the impact of PREO on the inflammatory pathway in HaCaT cells produced by LPS. In vitro methods were used to ascertain the expression of inflammatory proteins, and network pharmacological analysis was employed to predict the signaling pathway. According to our findings, PREO significantly reduced LPS-induced oxidative stress, decreasing nitric oxide (NO) and reactive oxygen species (ROS) production by 42% and 38%, respectively, and malondialdehyde (MDA) levels by 35%, while enhancing superoxide dismutase (SOD) activity by 28% (p < 0.01). PREO treatment (0.1%, 18 h) markedly suppressed pro-inflammatory cytokines, with mRNA levels of TNF-α, IL-1β, IL-6, and IL-8 reduced by 52%, 47%, 45%, and 40%, respectively. Mechanistically, PREO inhibited the TLR4-NF-κB pathway, downregulating MyD88 and TRIF expression by 60% and 55%, and reducing NF-κB p65 and IκB-α phosphorylation by 50% and 48%. Network pharmacology and molecular docking identified Citronellol (54.37% of PREO) as the major bioactive component, exhibiting strong binding affinities with IKKβ (−5.7 kcal/moL) and MyD88 (−4.5 kcal/moL). This research, distinct from previous investigations on Rosa rugosa polyphenols, provides a novel mechanistic link between PREO’s traditional use and its observed anti-inflammatory and antioxidant effects in keratinocytes, specifically through inhibition of the TLR4-NF-κB pathway.