Background Essential oils are a rich source of secondary metabolites with diverse chemical and functional properties. Objective This study aimed to analyze the chemical composition of Anisosciadium lanatum Boiss. Apiaceae essential oil and to evaluate its bioactivity profile, including cytotoxicity, enzymatic inhibition (α-amylase and lipoxygenase), and antibacterial effects, as well as its chemical radical-scavenging capacity. In silico simulations, including molecular docking and ADME profiling, were performed to uncover the molecular basis of the observed effects and chemical interactions. Methods The chemical composition was determined via Gas Chromatography-Mass Spectrometry (GC-MS). The antioxidant capacity was evaluated using 2,2-diphenyl-1-picrylhydrazyl (DPPH) radical scavenging, β -Carotene bleaching, and 2,2′-azino-bis (3-ethylbenzothiazoline-6-sulfonic acid) (ABTS) radical cation assays. Biological evaluation included a cell-based in vitro cytotoxicity assay (MTT), enzymatic inhibition assays ( α -amylase and lipoxygenase), and antibacterial testing through MIC/MBC determination. Results GC-MS analysis identified isopulegol (22.39%), longifolene (19.73%), and β -asarone (11.27%) as the major metabolites. The oil demonstrated a high chemical scavenging capacity with SC 50 values of 0.019 ± 0.010 mg/mL (DPPH), 0.041 ± 0.040 mg/mL (ABTS + ), and 0.094 ± 0.010 mg/mL ( β -carotene bleaching). In biological models, cytotoxicity in HEK-293 cells revealed an IC 50 value of 0.060 ± 0.010 mg/mL, indicating moderate activity. Consequently, further studies using primary human cells or in vivo models are warranted to comprehensively evaluate its safety and toxicological profile. Notably, the oil exhibited enzyme inhibition against α -amylase (IC 50 = 0.010 ± 0.010 mg/mL), indicating preliminary glucose-modulating potential, and moderately inhibited lipoxygenase (IC 50 = 0.101 ± 0.020 mg/mL). Antibacterial testing revealed a significant bactericidal effect against Staphylococcus aureus . In silico analysis provided supportive computational insights: alloaromadendrene showed favorable predicted binding to human erythrocyte catalase (–7.9 kcal/mol) and S. aureus dehydrosqualene synthase (–8.9 kcal/mol), while longifolene exhibited promising docking scores for α -amylase (–7.0 kcal/mol) and lipoxygenase (–6.3 kcal/mol). Additionally, ADME profiling suggested potentially favorable pharmacokinetic properties for the principal metabolites. Conclusion Overall, A. lanatum essential oil represents a potential source of bioactive metabolites. While it shows potent chemical-scavenging capacity, its enzyme-inhibitory and antibacterial effects suggest potential bioactive properties that require further investigation in advanced biological models.
Besbes et al. (Tue,) studied this question.