In Vitro Anti-Inflammatory Activity of Cotula   anthemoides Essential Oil and In Silico Molecular Docking of Its Bioactives.
Mohamed S RefaeyMohamed E AbouelelaEhab A M El-ShouraHala M AlkhalidiSana A FadilSameh S ElhadyReda F A AbdelhameedPublished in: Molecules (Basel, Switzerland) (2022)
The genus Cotula (Asteraceae) comprises about 80 species, amongst them Cotula anthemoides L. It is a wild plant growing in Egypt that possesses many traditional uses as a headache, colic, and chest cold remedy. In our study, the chemical composition of C . anthemoides essential oils was analyzed using GC-MS spectroscopy. Sixteen components of leave and stem oils and thirteen components of flower oils were characterized. The main components in both essential oil parts were camphor (88.79% and 86.45%) and trans -thujone (5.14% and 10.40%) in the leaves and stems and the flowers, respectively. The anti-inflammatory activity of the oils in lipopolysaccharide-stimulated RAW 264.7 macrophage cells was evaluated. The flower oil showed its predominant effect in the amelioration of proinflammatory cytokines and tumor necrosis factor-α, as well as cyclooxygenase-2. The bornyl acetate showed the highest affinity for the cyclooxygenase-2 receptor, while compound cis - p -menth-2-ene-1-ol had the best affinity for the tumor necrosis factor receptor, according to the results of molecular docking. In addition, the molecule cis - β -farnesene showed promising dual affinity for both studied receptors. Our findings show that essential oils from C . anthemoides have anti-inflammatory properties through their control over the generation of inflammatory mediators. These findings suggest that C . anthemoides essential oils could lead to the discovery of novel sources of anti-inflammatory treatments.
Keyphrases
- molecular docking
- essential oil
- anti inflammatory
- molecular dynamics simulations
- rheumatoid arthritis
- induced apoptosis
- small molecule
- capillary electrophoresis
- high resolution
- toll like receptor
- cell cycle arrest
- oxidative stress
- adipose tissue
- inflammatory response
- protein kinase
- lps induced
- single molecule
- signaling pathway
- binding protein
- nitric oxide
- fatty acid
- single cell