Quantification, phytochemical evaluation, and identification of pomegranate yellow peel constituents using LC-MS/MS, the effect of the solvent extract on the antioxidant, in vitro anti-inflammatory, and antibacterial activities

Abstract

Yellow pomegranate peel represents a promising source of bioactive compounds with potential therapeutic applications. This research focused on identifying the optimal solvent for extracting phenolic compounds from Algerian yellow pomegranate cultivars. Several antioxidant assays, including DPPH, GOR, CUPRAC, ABTS, reducing power, and phenanthroline, were employed to evaluate the extracts. Additionally, in vitro anti-inflammatory and antibacterial activities were assessed, complemented by in silico analyses. Molecular modeling explored the interaction between specific compounds (punicalagin-β, punicalagin-α, punicalin, gallic acid, and tannic acid) and various solvents. The study considered solvent effects using the MERA model and predicted biological activity and metabolism via CiS and CoMin algorithms. The aqueous extract exhibited remarkable antioxidant capacity, with notable IC50 values in ABTS (7.05±0.12 µg/mL), CUPRAC (7.40±0.79 µg/mL), reducing power (16.00±4.02 µg/mL), and phenanthroline assay (10.23±1.95 µg/mL). Furthermore, the hydro-methanolic extract displayed superior antibacterial efficacy against selected bacterial strains, while the aqueous and methanolic extracts exhibited limited activity. These findings underscore the potential of yellow pomegranate peel as a source of bioactive molecules with significant antioxidant, anti-inflammatory, and antibacterial properties.