Anxiolytic Potential of Selected Essential Oils and Their Impact on Motor Function.

Plant essential oils (EOs) exhibit promising anxiolytic activity, but their application may be constrained by adverse motor effects arising from interactions with neural circuits controlling movement. Here, we investigated the anxiolytic-like effects and motor impairment liability of EOs from Pimenta pseudocaryophyllus, Melissa officinalis, Matricaria chamomilla, Lippia alba, Salvia rosmarinus, Ocimum basilicum, Spiranthera odoratissima, and Cymbopogon citratus, integrating computational target prediction with behavioral pharmacology. Prioritized EO constituents were subjected to target prediction, molecular docking, and 100-ns molecular dynamics simulations to identify molecular mechanisms potentially associated with motor impairment. Male and female Swiss mice received oral vehicle 10 mL/kg, EOs (10, 100, or 500 mg/kg) or diazepam (DZP 1 or 5 mg/kg), followed by the evaluation of anxiolytic-like behavior and motor coordination in the elevated plus maze and rotarod test, respectively. In silico analyses involving docking and molecular dynamics simulations of computationally prioritized EO constituents identified candidate targets within M1 and M2 receptors. All EOs exhibited anxiolytic-like activity at the intermediate dose. Motor impairment varied markedly among EOs. Integrating computational target prediction with behavioral assessment identified distinct motor liability profiles among EOs.