Bioactivity-Guided Identification of Metabolites from Syzygium polycephalum with Antioxidant and α-Glucosidase Inhibitory Activities
Key Points
This study aims to evaluate the antioxidant and α-glucosidase inhibitory activities of Syzygium polycephalum and identify the associated bioactive metabolites.
Evaluated antioxidant activities using DPPH, FRAP, and CUPRAC assays.
Analyzed various plant parts using LC-HRMS for metabolite identification.
Performed in silico analysis for docking and ADMET properties of identified compounds.
Ethanolic leaf extract showed high phenolic (457.89 mg GAE/g) and flavonoid content (11.08 mg QE/g).
Strong antioxidant activities were recorded: DPPH (683.21 mg AEAC/g), FRAP (1338.37 mg AEAC/g), and CUPRAC (771.91 mg AEAC/g).
Chrysin was identified as the main bioactive compound with favorable pharmacokinetic properties and excellent binding affinity.
Abstract
Syzygium polycephalum (Miq.) Merr. FRAP: 1338.37 ± 7.04; CUPRAC: 771.91 ± 8.78 mg AEAC/g) and alpha-glucosidase inhibitory activities (52,145.16 ± 801.54 mg AEAGIC/g). LC–HRMS/MS identified four compounds, including chrysin and formononetin. Integrated in silico analyses revealed that chrysin consistently outperformed other metabolites, exhibiting optimal docking scores, favorable absorption, distribution, metabolism, excretion, and toxicity (ADMET) properties, and superior dynamic stability and binding affinity in molecular dynamics simulations. Collectively, these results position chrysin as the dominant bioactive driver and establish S. polycephalum leaf as a promising and sustainable source of dual-acting antioxidant and antidiabetic agents.