Journal of ethnopharmacology · 2025
Effects of the Thymus satureioides essential oil on rodent intestinal smooth muscle contractions: in vitro and in silico studies.
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Karim Ahmed, Marghich Mohamed, Amrani Ouafa, Addous Abdelhay, Harit Tarik, Beyi Leila, Mekhfi Hassane, Aziz Mohammed
Аннотация
ETHNOPHARMACOLOGICAL RELEVANCE: Thymus satureioides is traditionally used in Moroccan medicine to alleviate digestive disorders, particularly intestinal spasms. However, scientific evidence supporting this use remains limited.
AIM OF THE STUDY: This study aims to validate the traditional antispasmodic use of T. satureioides by analyzing its essential oil (TsEO), identifying its chemical constituents, and elucidating the potential mechanisms underlying its effects using in vitro and in silico methods.
MATERIALS AND METHODS: The relaxant and spasmolytic activities of TsEO were evaluated on isolated rabbit and rat jejunum tissues using isotonic transduction. Gas Chromatography-Mass Spectrometry (GC-MS) was employed to characterize the chemical composition of TsEO. The major compounds were further assessed for their pharmacokinetic profiles and molecular interactions with Cav1.1 L-type calcium channels and M3 muscarinic receptors through ADMET analysis and molecular docking.
RESULTS: TsEO demonstrated a reversible myorelaxant effect with an IC50 of 93.25 ± 9.74 μg/mL and produced dose-dependent inhibition of contractions induced by KCl and carbachol (CCh). GC-MS analysis revealed major constituents including p-menth-1-en-8-ol (21.58 %), borneol (13.77 %), 4-terpineol (13.53 %), and camphene (10.77 %). Docking studies indicated strong interactions with Cav1.1 calcium channels, whereas affinity to M3 receptors was comparatively lower. The in vitro and in silico data suggest that TsEO primarily exerts its effects through calcium channel blockade and modulation of interstitial cells of Cajal, with minimal involvement of cholinergic, nitric oxide, or adrenergic pathways.
CONCLUSION: These findings support the traditional use of T. satureioides in treating gastrointestinal disorders, particularly as an antispasmodic agent.
AIM OF THE STUDY: This study aims to validate the traditional antispasmodic use of T. satureioides by analyzing its essential oil (TsEO), identifying its chemical constituents, and elucidating the potential mechanisms underlying its effects using in vitro and in silico methods.
MATERIALS AND METHODS: The relaxant and spasmolytic activities of TsEO were evaluated on isolated rabbit and rat jejunum tissues using isotonic transduction. Gas Chromatography-Mass Spectrometry (GC-MS) was employed to characterize the chemical composition of TsEO. The major compounds were further assessed for their pharmacokinetic profiles and molecular interactions with Cav1.1 L-type calcium channels and M3 muscarinic receptors through ADMET analysis and molecular docking.
RESULTS: TsEO demonstrated a reversible myorelaxant effect with an IC50 of 93.25 ± 9.74 μg/mL and produced dose-dependent inhibition of contractions induced by KCl and carbachol (CCh). GC-MS analysis revealed major constituents including p-menth-1-en-8-ol (21.58 %), borneol (13.77 %), 4-terpineol (13.53 %), and camphene (10.77 %). Docking studies indicated strong interactions with Cav1.1 calcium channels, whereas affinity to M3 receptors was comparatively lower. The in vitro and in silico data suggest that TsEO primarily exerts its effects through calcium channel blockade and modulation of interstitial cells of Cajal, with minimal involvement of cholinergic, nitric oxide, or adrenergic pathways.
CONCLUSION: These findings support the traditional use of T. satureioides in treating gastrointestinal disorders, particularly as an antispasmodic agent.