Abstract
This study evaluated the effects of three extraction methods, hydrodistillation (HD), steam distillation (SD), and lipophilic solvent extraction (LSE), on the yield, chemical composition, and in vitro / in silico biological activities of Schizonepeta tenuifolia (Benth.) Briq essential oil (STEO). The highest yield of STEO was obtained by HD (0.750±0.040%), followed by SD (0.440±0.020%) and LSE (0.350±0.030%). Although their contents varied, menthone and pulegone predominated in HDEO, SDEO, and LSEO. HDEO displayed the strongest antioxidant ability, with a 2,2-diphenyl-1-picrylhydrazyl (DPPH) IC50 value of 14.164±0.090 mg/mL and 2,2'-azinobis-(3-ethylbenzothiazoline-6-sulfonate) (ABTS) value of 0.326±0.023 mg/mL. SDEO demonstrated the highest antimicrobial activity against Staphylococcus aureus and Escherichia coli and HDEO the highest potent anti-inflammatory activity. The molecular docking of menthone and pulegone demonstrated strong binding to inflammatory targets, including prostaglandin-endoperoxide synthase 1 (PTGS1) and 2 (PTGS2) and tumor necrosis factor alpha (TNF-α). In short, the extraction method significantly affected the yield, composition, and biological activity of STEO.
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