Antioxidant and Anti-inflammatory Properties of Urtica dioica: In Silico, In Vitro, and Phytochemical Analysis

Oxidative stress and inflammation are key contributors to various chronic diseases, necessitating the discovery of natural compounds with therapeutic potential. Urtica dioica, commonly known as stinging nettle, has been traditionally used for its medicinal properties, but its essential oil remains underexplored. This study aimed to evaluate the antioxidant properties of Urtica dioica essential oil (UDEO) through an integrative approach involving in silico, in vitro, and in vivo analyses. The phytochemical composition of UDEO was investigated to identify bioactive compounds with significant biological roles. Gas chromatography combined with triple quadrupole mass spectrometry (GC-MS/MS) revealed 97 thermolabile compounds, highlighting the complex chemical profile of the essential oil. To enhance analytical precision, various injection methods using the multimode inlet (MMI) in chromatography were optimized, achieving lower instrumental detection limits. Standard antioxidant assays, including ABTS•+ radical scavenging and total antioxidant capacity (TAC), demonstrated UDEO’s strong antioxidative potential. In silico studies further indicated that several identified compounds may target inflammatory mediators such as cyclooxygenase-2 (COX-2), tumor necrosis factor-alpha (TNF-α), and interleukin-6 (IL-6). These findings suggest that UDEO may exert anti-inflammatory effects by modulating key pathways involved in oxidative stress and inflammation.

The study assessed the antioxidant properties of UDEO through a comprehensive approach, revealing its therapeutic potential in managing oxidative stress and inflammatory conditions. This work underscores the importance of exploring essential oils as a source of natural bioactive compounds for pharmacological applications.