Unveiling the potential of Syzygium aqueum extracts: Chemical profiling, bioactivities, and assessment of ADME-associated physicochemical properties.

The purpose of this study was to assess the antimicrobial, antibiofilm, antioxidant, and cytotoxic properties of various solvent extracts derived from Syzygium aqueum leaves. The chemical composition of the most promising extract was also analyzed. In the DPPH assay, the butanol extract demonstrated significant antiradical activity, with an IC50 value of 21.80 µg/ml. The same extract exhibited the highest total antioxidant capacity in the phosphomolybdenum assay, measuring 566.66 mg AAE/g dry sample. Furthermore, the butanol extract displayed potent cytotoxic effects against HePG2 and HCT-116 cell lines in the MTT assay, with IC50 values of 13.35 µg/ml and 21.68 µg/ml, respectively. Phytochemical analysis led to the isolation and identification of six compounds: gallic acid (1), rutin (2), myricitrin (3), europetin 3-O-rhamnoside (4), quercitrin (5), and chlorogenic acid (6). Their structures were confirmed using spectroscopic techniques, including 1H and 13C-NMR. The antimicrobial and biofilm inhibitory activities of these compounds were tested against various bacterial strains. Gallic acid and rutin showed particularly strong antimicrobial effects against specific pathogens. Additionally, the ADME (absorption, distribution, metabolism, and excretion) physicochemical properties of the isolates were assessed, revealing variations in molecular weight, lipophilicity, water solubility, and hydrogen bond interactions. Pharmacokinetic profiling highlighted differences in absorption, permeation, and potential enzyme interactions. Drug-likeness evaluations and bioavailability scores indicated varying potential for drug development, with gallic acid, myricitrin, and europetin 3-O-rhamnoside scoring favorably. Alerts for undesirable chemical features and synthetic accessibility scores provided further insights into their therapeutic potential. This comprehensive analysis offers valuable information on the bioactive properties and therapeutic potential of Syzygium aqueum extracts and their isolated compounds, contributing to their potential application in drug development.