Salvia hypargeia HPLC phytochemical and GC–MS volatile compound analysis, enzyme inhibition, antioxidant activity, and molecular docking

Abstract The primary aim of this study was to evaluate the phenolic content and biological activity of Salvia hypargeia using both in vitro and in silico approaches. The antioxidant activity of S. hypargeia was assessed using the DPPH method. In addition, the enzyme inhibitory potential of the methanol extract obtained from the aerial parts of S. hypargeia against tyrosinase and acetylcholinesterase (AChE) was evaluated. Subsequently, molecular docking interactions of S. hypargeia compounds against tyrosinase and AChE enzymes were performed. High antioxidant activity was determined in the methanol extracts. The IC₅₀ values of S. hypargeia against AChE and tyrosinase enzymes were determined as 1.79 mg/mL and 7.67 mg/mL, respectively. Moreover, S. hypargeia was also shown to possess strong enzyme inhibitory properties in silico analyses. Catechin and epicatechin were identified as two of the most abundant phenolic compounds in the methanol extract of the aerial parts of S. hypargeia, with concentrations of 1402.1 mg/L and 1900.7 mg/L, respectively. The high flavonoid and phenolic content of the extracts, along with their strong antioxidant and enzyme inhibitory properties, may contribute to expanding the use of S. hypargeia in both traditional and modern therapeutic applications.