Table 5. The relationship of experimental tyrosinase inhibition and computational prediction of vanillic acid and tyrosinase inhibitors.
| Compound name | Experimental tyrosinase inhibition assays | Computational prediction | |||
|---|---|---|---|---|---|
| IC 50 values ( µM ) | dG ( kcal / mol ) | Lig . Efficiency ( kcal / mol ) | pIC 50 ( µM ) | pKd ( µM ) | |
| Vanillic acid | 15.84 mM (Girawale et al., 2022) | −5.88 | −0.49 | 4.36 | 4.36 |
| Deoxyarbutin | 57.70 µM (Chawla et al., 2008) | −4.44 | −0.32 | 3.37 | 3.29 |
| Kojic acid | 40.69 µM (Chen et al., 2015) | −4.91 | −0.49 | 3.59 | 3.64 |