Integration of chemical characterization, biological activities, and network pharmacology of different extracts from Syzygium rowlandii

The leaves and stem barks of Syzygium rowlandii, were considered as sources of biologically active compounds. Using the ultrasound-assisted extraction with different solvents, we obtained three types of extracts (ethyl acetate (EA), methanol (MeOH), and water), which were characterized by NMR and LC-MS. Quinic acid, myricetin-7-O-glucuronide, myricetin-3-O-rhamnoside, and oleanolic acid were the most abundant compounds. Bioassays were performed showing antioxidant and enzyme inhibitory properties. Molecular docking revealed the binding properties of some plant constituents against tested enzymes were evaluated allowing to obtain crucial information that combined chemical composition, bioassay results and in silico studies. Results showed that myricetin-7-O-glucuronide had good binding potential for tyrosinase, amylase, and glucosidase partially explaining the observed bioactivity. Network pharmacology also predicted desirable and potent targets for the isolated compounds in various disease pathways. Our findings suggest that S. rowlandii can be a promising source of biologically active compounds and our approach can be useful for designing functional applications, such as pharmaceuticals, nutraceuticals, or cosmeceuticals.