Abstract
Dracaena reflexa is a medicinal plant traditionally used for various therapeutic purposes. This study focused on the isolation, characterization and anti-viral evaluation of bioactive constituents from its stem (dichloromethane extract) and leaves (ethanol extract). Chromatographic techniques yielded two compounds: Compound (1) is 3-(6',8'-dimethoxydodecyl)-4-(4-hydroxyphenyl)-1H-pyrrole-2,5-dione, a novel alkylated pyrrole derivative and Compound (2) is 3,3',4',5,7-pentahydroxyflavon, a flavonoid reported for the first time in Dracaena reflexa. Structural elucidation was conducted using UV-Vis, FTIR, ¹H-NMR, ¹³C-NMR and mass spectrometry. Molecular docking studies targeting SARS-CoV-2 main protease (Mpro) and spike protein (Spro) revealed that Compound (2) exhibited stronger binding affinities (- 7.92 and - 8.47 kcal/mol, respectively) compared to Compound (1) (- 4.85 and - 6.60 kcal/mol) and was comparable to the reference drug, ivermectin. In silico ADME analysis showed that both compounds conformed to Lipinski's Rule of Five and displayed favorable pharmacokinetic properties, including good solubility, lipophilicity and gastrointestinal absorption. Compound (2) also exhibited better drug-likeness and bioavailability characteristics. These findings suggest that both compounds, particularly Compound (2), hold promise as lead candidates for the development of antiviral agents against SARS-CoV-2. Further in vitro and in vivo studies are recommended to validate their therapeutic potential. SUPPLEMENTARY INFORMATION: The online version contains supplementary material available at 10.1007/s40203-026-00555-1.