Fig 2: RMSF analysis of COX-2 protein with the selected compounds. (A) RMSF graph of carvacrol–COX-2 complex. (B) RMSF graph of thymol–COX-2 complex.

Fig 3: RMSD analysis of lead compounds in complex with COX-2. (A) RMSD plot of carvacrol-COX-2 complex. (B) RMSD plot of thymol–COX-2 complex.

Fig 4: 5-LOX and COX-2 enzyme inhibition values of S. salviifolia extracts at 400 µg/mL final concentration (* Zileuton for 5-LOX and celecoxib for COX-2, ns: not significant, **** p < 0.0001).

Fig 5: Three-dimensional representation of dexketoprofen (a), compound 1 (b), compound 2 (c), compound 3 (d), compound 4 (e), and compound 5 (f) binding interactions within the binding pocket of COX-2. Illustrated interactions include conventional hydrogen bonds (green dashed lines), C–H hydrogen bonds (smudge dashed lines), π–σ interactions (hot-pink dashed lines), π–π interactions (magenta dashed lines), π–alkyl interactions (pink dashed lines), amide–π interactions (blue dashed lines), and unfavorable steric bumps (red dashed lines).