Biological activity, chemical composition, and molecular docking of Eugenia punicifolia (Kunth) DC

Abstract

AbstractThere is a significant effort to explore the potential pharmacological activity of natural products derived from plant extracts. The goal is to generate new compounds that could be used for therapeutic purposes. Eugenia punicifolia is a shrub that grows widely all over the world. As a natural cure for diabetes, fever, flu and inflammation, leaves of this medicinal plant are often used in decoction or aqueous infusion. The goal of the study was to record the molecular docking, antioxidant, chemical composition, and alpha-glucosidase inhibition of E. punicifolia. A number of parameters were evaluated in order to confirm its efficacy, including Total Phenolic Content (TPC), TFC (Total Flavonoid Content), FRAP (ferric reducing antioxidant power), DPPH radical scavenging activity, inhibition of α-glucosidase, chemical composition, and molecular docking. The leaf ethanolic exhibited robust antioxidant activity with respect to radical scavenging activity, TPC (Total phenolic content), reducing power, TFC (Total Flavonoid Content), and alpha-glucosidase inhibitory activity at concentrations of 26.7 µg/mL, 18.9 mmol/g, 11.9 mg GAE/g, 13.5 mg QE/g, and 18.9 µg/mL, respectively. In the ethanolic leaf extract, Z-8-Methyl-9-tetradecenoic acid (28.6%) was the main component. The five compounds (− 121.208 kcal/mol, − 120.465 kcal/mol, − 105.572 kcal/mol, − 104.497 kcal/mol, and − 102.256 kcal/mol) were selected as the top lead compounds, respectively. The lead compounds that were found had drug-like properties and were suitable for oral administration. In addition, it was noted that they exhibited non-toxic features and favorable ADME-Tox characteristics, except for compound 6, which displayed toxicity. The leaves exhibited potential applications in the food and pharmaceutical sectors.