NMR and GC-MS based metabolic profiling, total phenolic content, antibacterial, antioxidant, anticancer and In-silico...

Origanum ramonense is a rare and underexplored aromatic (Lamiaceae family) native to the Mediterranean region, but despite its prospects as a medicinal plant, there is a shortage of spectrometry based metabolic profiling of this plant. Thus, the objective of this study was to carry out a detailed investigation of the metabolic profile of Origanum ramonense extracts using multiple solvents (methanol, methanol/water, ethyl acetate, dichloromethane/methanol, and hot water) of varying polarity, and further assess its bioactive potential. Using analytical tools such as NMR and GC/MS, we identified functional groups of plant metabolites and further employed multiple assays such as DPPH (antioxidant activity) and the Folin-Ciocalteu method to understand the plant's bioactivity. The extracts were found to be rich with polyphenolic compounds (17.8-107.2 mg Gallic acid per gram extract) and had strong antioxidant activity (IC50 5.8-128.5). The promising bioactivity was validated not only by results for in-vitro anticancer and (MCF-7 and HeLa cells) antibacterial tests (S. aureus and S. pneumoniae) but also in-silco molecular docking further showed the potential of antiviral activity of the extracted metabolites against SARS-CoV. These findings highlight O. ramonense as a valuable source of natural antioxidants and bioactive compounds, underscoring the need for further research into its medicinal properties.