Comparative phytochemical profiling, enzyme inhibitory activities, and in silico pharmacokinetic insights of essential oils and extracts from Origanum leptocladum Boiss. and Origanum vulgare subsp. hirtum (link) A.Terracc

This study comparatively evaluated the phytochemical and biological profiles of Origanum leptocladum and O. vulgare subsp. hirtum (Lamiaceae). Aqueous extracts yielded more material than methanolic ones, with O. leptocladum showing superior extractability. GC–MS analysis revealed distinct chemotypes: O. leptocladum was rich in cis-sabinene hydrate and p-cymene, whereas O. vulgare was dominated by carvacrol. Methanol extracts of O. leptocladum exhibited the highest α-glucosidase inhibition (90.10%) and antioxidant capacity, correlating with elevated phenolic content. Molecular docking indicated strong binding affinities of carvacrol, cis-sabinene hydrate, and p-cymene to α-glucosidase, α-amylase, AChE, and BChE, implying multitarget inhibitory potential. ADME predictions confirmed favourable pharmacokinetic properties and BBB permeability, especially for carvacrol and cis-sabinene hydrate. This first report on α-glucosidase and α-amylase inhibition by O. leptocladum underscores its promising antidiabetic and neuroprotective potential, supporting its value for pharmaceutical and nutraceutical development.