Affiliation:
1. VNU University of Education, Vietnam National University Hanoi Vietnam
2. Institute of Chemistry Vietnam Academy of Science and Technology (VAST) Hanoi Vietnam
3. Faculty of Chemistry VNU University of Science, Vietnam National University Hanoi Vietnam
Abstract
ABSTRACTThe current study first describes a chemical analysis of essential oils from Vietnamese Eupatorium clematideum (Wall. Ex DC.) Sch. Bip. Gas chromatography‐mass spectrometry/flame ionization detection analysis revealed α‐pinene (16.50%), α‐humulene (6.71%–19.05%), germacrene D (7.72%–18.92%), α‐santalene (5.61%–14.58%), bicyclogermacrene (8.44%–16.69%), β‐caryophyllene (5.50%), and cis‐β‐elemene (5.71%–9.72%) as the main compounds of essential oils from its leaves, stem barks, and roots. The essential oils from the leaves, stem barks, and roots showed strong cytotoxicity with the corresponding half‐maximal inhibitory concentration (IC50) values of 8.43 ± 0.51, 8.74 ± 0.29, and 8.65 ± 0.29 µg/mL against SK‐LU‐1; 9.42 ± 0.32, 7.93 ± 0.28, and 8.65 ± 0.29 µg/mL against HeLa; and 7.16 ± 0.33, 8.11 ± 0.48, and 9.75 ± 0.41 µg/mL against HepG2 cancer cell lines. The essential oils also exhibited strong inhibitory activity against nitric oxide production with IC50 values of 29.68–33.55 µg/mL. Furthermore, the essential oils exerted antioxidant, antidiabetic, and antimicrobial activities. The molecular docking study revealed that α‐santalene and α‐humulene displayed the strongest binding affinity for two cancer‐related protein targets: epidermal growth factor receptor and human epidermal growth factor receptor 2, respectively. The predicted toxicity profiles of the major compounds were also expected to provide insights for further research considerations.