PASS, SwissADME, ProTox and docking predicted favourable properties for luteolin and apigenin, with calculated NS2B-NS3 allosteric binding of -7.74 and -7.67 kcal/mol and interactions with host C-type lectin receptors. All findings are computational; no enzyme, infected-cell, animal or patient antiviral activity was demonstrated.
Key findings
- Luteolin docked to NS2B-NS3 at -7.74 kcal/mol versus apigenin at -7.67 kcal/mol at putative allosteric sites. Both were predicted to interact with C-type lectin receptors and to have favourable computational pharmacokinetic/toxicity profiles.
Why this matters globally
Dengue lacks widely used specific antivirals, and natural products offer chemical diversity. Computation can prioritize candidates but cannot replace experiments.
Thai researcher contribution
Prince of Songkla University researchers built a low-cost prioritization workflow for a disease highly relevant to Thailand.
Limitations to consider
Docking scores do not measure inhibition, cellular entry or actual pharmacokinetics. No reported biological controls, cytotoxicity, selectivity, antiviral assay or immune consequences were tested; host-receptor interference could be harmful.