Phytochemical Profiling, Anti‐Inflammatory Effect, and Cytotoxicity to Cancer Cells of Essential Oil From Merremia hederacea Leaves

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Merremia hederacea , commonly known as ivy woodrose, is a climbing herb belonging to the Merremia genus of the Convolvulaceae family. To date, there exists no scientific data on the phytochemical composition and activities of the essential oil from this plant. This study aims to isolate the essential oil from M. hederacea (MHEO) leaves, followed by the identification of chemical components and the in vitro and in silico evaluation of the anti‐inflammatory effect and cytotoxicity to cancer cells. The major constituents in MHEO are sesquiterpene hydrocarbons (51.4%), with a high percentage of α ‐humulene (13.0%), β ‐caryophyllene (8.7%), germacrene D (6.3%), and β ‐elemene (4.7%). MHEO suppressed the nitric oxide (NO) production of lipopolysaccharide‐induced macrophage cells with an IC 50 of 5.4 ± 0.54 µg/mL and reduced protein degradation by approximately 48.31 ± 2.63% at a concentration of 40 µg/mL. Additionally, MHEO reduced the proliferation of human colorectal carcinoma (HT‐29) and drug‐resistant human hepatocarcinoma cells (Huh‐7R), with IC 50 values of 39.76 ± 2.32 and 41.81 ± 1.75 µg/mL, respectively. The primary compounds of MHEO exhibited binding affinities ranging from −6.1 to −8.4 kcal/mol with proteins involved in inflammation, apoptosis, and cell migration, including cyclooxygenase‐2, inducible NO synthase, B cell lymphoma‐2, B cell lymphoma‐extra large, and vascular endothelial growth factor receptor‐2.