Phytochemical analysis and enzyme inhibition of Origanum dictamnus L essential oil through in vitro and in silico methods

Origanum dictamnus L., is an aromatic plant belonging to Lamiaceae family. The aim of this study was to evaluate whether and how O. dictamnus essential oil (EO) showed inhibitory activity against enzymes associated with the Central Nervous System disorders and human metabolism. The EO was analyzed by GC/MS. Enzyme inhibitory activity against cholinesterases, tyrosinase, α-amylase, α-glucosidase and lipase were investigated. Lineweaver-Burk plots were constructed to study the kinetic parameters of the inhibitory activity. The interactions between the main constituents of the EO and enzymes were further analyzed through an in silico molecular docking study. The EO was mainly composed by carvacrol and p-cymene. The enzymatic assays showed inhibitory activities dependent on the EO concentrations. The type of inhibition observed was mixed for acetylcholinesterase, α-glucosidase, and lipase; competitive for butyrylcholinesterase; and non-competitive for tyrosinase. O. dictamnus EO could be used as supplement for management of metabolic and neurological disease.