Supporting tables for<b> </b>flavonoids inhibition of dengue virus envelope protein

In this study, we made a database of flavonoids based on literature reports on their antiviral activity, structural diversity, and drug-likeness profiles. The main goal was to explore the inhibitory effects of flavonoids against an envelope inhibitor among the tested molecules. By utilizing molecular docking, molecular dynamics simulations, and free energy calculations, we predict where the flavonoids bind to the E protein structure, assess their interaction and stability in the orthosteric site, and determine the drug-likeness properties of flavonoids.