Enhancing bioactive compound production in Salvia mirzayanii through elicitor application: Insights from in vitro and in silico studies

Abstract

The use of elicitors stimulates the biosynthesis of diverse and unique plant compounds, providing a sustainable and eco-friendly method to access a wide range of potential therapeutics. This study aimed to assess the foliar application of various concentrations of elicitors, namely yeast extract, salicylic acid, and chitosan, on the metabolite profiling and biological activity of Salvia mirzayanii. Furthermore, in silico predictions were conducted to assess the molecular interactions between the ligands identified through GC/MS analysis and bacterial targets. Extracts obtained from treated plants exhibited significant antioxidant activity, with an IC50 range of 0.066–0.511 mg/mL, and higher antibacterial properties against Staphylococcus aureus, with a minimal inhibition concentration (MIC) range of 1.0–5.0 mg/mL, compared to untreated plants. Additionally, it was observed that 4 g/L yeast extract, 1 g/L yeast extract, 0.5 mmol/L salicylic acid, and 0.2 mmol/L chitosan showed the highest levels of stimulation in the production of novel compounds in S. mirzayanii compared to control plants. Moreover, in silico molecular docking analysis indicated that all ligands effectively bound to the active site of the S. aureus MetRS and FtsA proteins. The pharmacokinetic analysis revealed that sclareol oxide was identified as a safe ligand. Its dynamic behavioral characteristics within the protein complexes displayed high stability and a significantly stronger interaction with MetRS, with a free binding energy of −60.859 kJ/mol. These findings highlight the therapeutic potential of elicitor application in S. mirzayanii, as it enhances the production of bioactive compounds, emphasizing its therapeutic potential in functional foods.