In vitro and in silico based assessment of biological activity of endemic Allium species: LC-MS/MS analysis of onions

Abstract

In this study, the beneficial biological activity of four Allium species was examined to determine the metabolite components, antioxidant, antimicrobial, antiproliferative, wound healing, and enzyme inhibitory activities. All in vitro tests were compared to their reference compounds. The quantitative phytochemical analysis was distinctively profiled fifteen metabolites. The extract of A. eldivanense exhibited promising inhibitory effect against AChE (IC50: 0.335 ± 0.04 mg mLˉˡ), BChE (IC50: 0.375 ± 0.04 mg mLˉˡ), α-glucosidase (IC50: 0.148 ± 0.01 mg mLˉˡ), and tyrosinase (IC50: 11.87 ± 1.07 μg mLˉˡ) enzymes. The extract from A. olympicum and A. ilgazense exhibited ABTS scavenging activity closer to that of BHT among four antioxidant assays. A. eldivanense showed antibacterial ability ranging from 4 to 8 mg mLˉˡ concentrations, and the extract is promising compared to ampicillin. A. peroninianum demonstrated the highest cytotoxic effect (IC50: 84.03 μg mLˉˡ) on cervical cancer cells, and all Allium extracts applied to the HeLa cell line significantly slowed down wound closure. The molecular implementation studies predicate the in vitro enzyme inhibitory findings, and the major compounds in the onion extract have the highest affinity for the targets. The findings suggested that Allium species have potential biological activities according to the comprehensive in vitro and in silico analysis.