Bioactive potential of Origanum munzurense Kit Tan & Sorger Extracts: Antioxidant, anticancer, and antibacterial activities explored through Sc-CO2 extraction and molecular docking analysis

Origanum munzurense Kit Tan & Sorger (O. munzurense), an endemic plant species from Turkey's Munzur Mountains, is a member of the Lamiaceae family known for its limited distribution and promising medicinal and aromatic properties. This species is not only integral to the local ecosystem but also holds significant potential for pharmaceutical and flavoring applications due to its rich chemical profile. Investigating its therapeutic benefits and exploring its scientific and industrial applications is therefore crucial. This study utilized supercritical carbon dioxide (Sc-CO₂) extraction to obtain extracts of O. munzurense under two pressure conditions, 100 bars (O₁₀₀) and 200 bars (O₂₀₀). The chemical compositions of the extracts were characterized using LC-MS/MS. Biological assessments revealed notable anticancer activity against MDA-MB-231 breast cancer cells and antibacterial effects against S. aureus, E. faecalis, P. aeruginosa, and E. coli. Additionally, molecular docking analysis was performed for key bioactive compounds, including luteolin, fumaric acid, myricetin, quercetin, and 2-hydroxycinnamic acid. These findings underscore the therapeutic potential of O. munzurense and support its further exploration for pharmaceutical and industrial applications. The Sc-CO₂ extracts (O₁₀₀ and O₂₀₀) of O. munzurense showed distinct compositions, with the O₁₀₀ extract demonstrating superior anticancer activity compared to O₂₀₀. Both extracts exhibited potent antibacterial activity against the tested strains. Pressure-dependent variations in composition led to differing antioxidant and anticancer activities; the O100 extract demonstrated higher bioactivity than O200. Myricetin showed the highest binding affinity (-8.215 kcal/mol) against protein 6QXS among Luteolin, Fumaric acid, Quercetin, and 2-Hydroxycinnamic Acid across proteins 3G7B, 6QXS, and 2UV0.