Table 2.

Flexible docking binding energy of the best five flavonoid compounds as compared to co-crystal inhibitor

Compound	CDocker energy (kcal/mol)	CDocker interaction energy (kcal/mol)	LibDock Score	No of H-Bond	Binding energy (kcal/mol)
3WL	− 34.8212	− 35.2188	102.348	2	− 24.9866
Quercetin	− 39.6003	− 42.9988	102.055	4	− 31.5229
Taxifolin	− 38.3342	− 45.9748	109.909	5	− 38.6097
Isoscutellarein	− 37.2348	− 38.4106	92.9587	2	− 25.8374
Eriodictyol	− 37.1527	− 42.5989	97.6221	4	− 39.0123
Luteolin	− 36.3285	− 41.5773	104.515	6	− 35.0685