Balahbib_2024_Chem.Biodivers__e202401426

The current study's goals were to thoroughly characterize the volatile compounds from Origanum grosii's aerial parts and assess their potential as antioxidants and enzyme inhibitors both in vitro and in silico. The volatile substances in essential oils were identified using GC-MS analysis. Indeed, Origanum grosii essential oil (OGEO) contained carvacrol (15.59%), prehnitol (14.83%), beta-Terpinene (13.56%), and thymol (10.36%). The antioxidant potential was assessed using three different assays. Remarkably, OGEO exhibited important antioxidant activity; the IC50 values found were 55.40 +/- 2.23, 81.65 +/- 3.26, and 98.04 +/- 3.87 microg/mL for DPPH, ABTS, and FRAP assays, respectively. The inhibitory effect of essential oils has been studied against enzymes involved in the appearance of human pathologies, including alpha-glucosidase, alpha-amylase, tyrosinase, and acetylcholinesterase. In silico, the main compounds in this essential oil demonstrated high binding energies during their associations with the enzymes tested. To sum up, OGEO possesses the ability to function as a natural agent, offering promising qualities suitable for use in food, medicine, and cosmetics.