Masruri Masruri, Anna Safitri, Siti M. Ulfa, Revian F. Ferdian, Ahmad R. A. Fabri, I. Wayan Karta, Muhammad Harrist, Aprilita A. Shalsadila
Liligundi (Vitex trifolia) are herbal plants that are widely used in ethnomedicine. It contains natural compounds that can fight against oxidation and bacteria. This study aimed to evaluate the phytochemical composition, antioxidant activity, and metabolite profile of sequential extracts from V. trifolia leaves and their potential as antibacterial agents using both in vitro and in silico approaches. Sequential maceration was conducted using n-hexane (HE), ethyl acetate (EAER), and methanol (MER) as solvents. Each extract was evaluated for phenolics, flavonoids, tannins, and antioxidant activity. Antibacterial effects were tested, liquid chromatography-mass spectrometry (LC-MS) profiling was conducted, and in silico docking predicted interactions with bacterial targets. Phytochemical analysis showed that the MER extract had the highest levels of phenolics (5732.06±98.56 mg GAE/100 g), flavonoids (2765.32±36.56 mg QE/100 g), and tannins (5057.65±54.72 mg TAE/100 g). It also demonstrated the strongest antioxidant activity with an IC50 of 51.61±0.16 ppm, compared to HE (447.70±13.85 ppm) and EAER (188.80±2.33 ppm). Antibacterial activity at 50% concentration against Staphylococcus aureus and Escherichia coli was moderate for all extracts, with MER showing the largest inhibition zone. Metabolite profiling revealed similarities and differences in the types of compounds found in each solvent used for the extraction. The same compounds appeared in each solvent, namely chrysosplenol C, casticin, and 2-hydroxy-7-isopropyl-1,1,4a-trimethyl-3,4,10,10a-tetrahydro-2h-phenanthren-9-one. In silico analysis revealed that MER extract metabolites, vitexin, orientin, and luteolin 7-glucuronide, bind strongly to 3HUN and 1G2A receptors, suggesting antibacterial potential. These findings highlight the therapeutic potential of V. trifolia as a source of bioactive compounds and warrant further investigation. © 2025 Masruri et al.
Department of Chemistry, Faculty of Mathematics and Natural Sciences, Brawijaya University, Malang, 65145, Indonesia; Department of Medical Laboratory Technology, Poltekkes Kemenkes Denpasar, Bali, Denpasar, 80224, Indonesia
