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Table 1.

Tyrosinase inhibitory activity of carvacrol derivatives (4a-f) and (6a-d).

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Table 1 Expand

Fig 1.

a) Determination of inhibition type of compound (6b) by Lineweaver-Burk plots c,d) the insets represent the plot of the slope & intercept respectively, from Lineweaver-Burk plot versus inhibitor of (6b) with concentrations (0.0, 7.0 and 28 μM). b) Determination of inhibition constant of compound (6b) with concentrations (0.0, 1.75, 7.0, 14.0 and 28 μM) by Dixon plots.The concentration of L-DOPA was 0.125 to 2.00 mM in both cases.

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Fig 1 Expand

Fig 2.

a) Determination of inhibition type of compound (6c) by Lineweaver-Burk plots b) the insets represents the plot of the slope from Lineweaver-Burk plot versus inhibitor of (6c)c) Determination of inhibition constant of compound (6c) by Dixon plots.

The concentrations of compound (6c) (0.0, 0.01, 0.02 and 0.04μM) and the concentrations of L-DOPA were (0.125, 0.25, 0.5, 1.0 and 2.00 mM) used in both cases.

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Fig 2 Expand

Fig 3.

a) Determination of inhibition type of compound (4c)by Lineweaver-Burk plots b) Determination of inhibition constant of compound (4c) by Dixon plots.

The concentrations of compound (4c) (0.0, 1.68, 3.37, 6.75 and 13.5μM) and the concentrations of L-DOPA were (0.25, 0.5, 1.0 and 2.00 mM) used in both cases.

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Fig 3 Expand

Fig 4.

a,b,c) Relationship between the catalytic activity of tyrosinase and various concentrations of compounds (6b), (6c) and (4c) respectively.

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Fig 4 Expand

Table 2.

Docking results of carvacrol derivatives (4a-4f) and (6a-6d) using AutoDock.

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Table 2 Expand

Fig 5.

Binding interactions of compound (6c) with target protein.

The (6c) is mentioned in green color with embedded oxygen functional groups in red. The target protein is highlighted in line ribbon format with purple color. The active binding site amino acids are highlighted in dark mahroon color around the ligand molecule. Two copper ions are also present in black color.

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Fig 5 Expand

Fig 6.

Binding interactions of compound (4c) with target protein.

The (4c) is mentioned in green color with embedded oxygen functional groups in red. The target protein is highlighted in line ribbon format with purple color. The active binding site amino acids are highlighted in dark mahroon color around the ligand molecule. Two copper ions are also present in black color.

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Fig 6 Expand

Fig 7.

Docking interactions between 6b and target protein.

The 6b is mentioned in green color with embedded oxygen functional groups in red. The target protein is highlighted in line ribbon format with purple color. The active binding site amino acids are highlighted in dark mahroon color around the ligand molecule. Two copper ions are also present in black color.

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Fig 7 Expand