Table 2.

Binding affinity for docked poses using AutoDock Vina.

Mode	Affinity (kcal/mol)
	BHT–3V92_B	Carvacrol–3V92_B	BHT–model	Carvacrol–model
1	−6.2	−6.9	−5.6	−6.7
2	−6.2	−6.8	−5.6	−6.7
3	−6.2	−6.0	−5.4	−5.8
4	−6.2	−5.9	−5.4	−5.8
5	−6.1	−5.7	−5.4	−5.6
6	−6.1	−5.6	−5.4	−5.5
7	−6.0	−5.6	−5.4	−5.5
8	−6.0	−5.6	−5.3	−5.5
9	−5.9	−5.6	−5.3	−5.4

BHT–3V92_B—docked complex of chain B of 5-lipoxygenase (PDB ID:3V92) and BHT; Carvacrol–3V92_B—docked complex of chain B of 5-lipoxygenase (PDB ID:3V92) and carvacrol; BHT–model—docked complex of LOX model and BHT; Carvacrol–model—docked complex of LOX model and carvacrol.