Exploring the Pharmacological Potential of the Chemically Characterized Essential Oil from Clinopodium nepeta subsp. ascendens: A Combined In Vitro and In Silico Analysis

This extensive investigation investigates the many biological properties found in the essential oil extracted from Clinopodium nepeta subsp . ascendens (CNEO), a previously unknown subspecies native to eastern Morocco. The study begins with a detailed examination of the phytochemical makeup of CNEO using gas chromatography-mass spectrometry, which reveals a complex spectrum of 24 terpene chemicals. Key components include linalyl acetate (23.28%), trifluoroacetyl-alpha terpineol (13.66%), camphor (13.28%), and menthol (9.22%). Beyond compositional clarification, the study carefully explores CNEO's different biological functions. The essential oil has a high total antioxidant capacity (TAC) of 315.07 mu g AA/mg and effectively inhibits DPPH free radicals (IC50 = 112.97 +/- 2.67 mu g/ml). CNEO has shown remarkable antibacterial activity against a variety of pathogens, occasionally surpassing gentamicin, indicating its promise as an antibacterial agent. Equally substantial antifungal activity, surpassing that of cycloheximide, is found with low minimum inhibitory concentrations (MIC), demonstrating its powerful antifungal characteristics. CNEO inhibits xanthine oxidase (IC50 = 30.82 +/- 0.78 mu g/ml), alpha amylase (IC50 = 40.13 +/- 1.60 mu g/ml), and alpha-glucosidase (IC50 = 45.30 +/- 0.69 mu g/ml) activities, indicating potential for glycemic management therapy. Additionally, the essential oil has strong anti-tyrosinase activity (IC50 = 29.78 +/- 1.01 mu g/ml), suggesting possible dermatoprotective applications for melanin control. Trifluoroacetyl-alpha terpineol, a key component of CNEO, inhibits proteins having antibacterial, antifungal, and dermatoprotective activities, according to molecular docking analysis. The implications of these findings lay a solid framework for future research into the entire therapeutic potential of CNEO in medical, cosmetic, and industrial settings.