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Table 1 Top ten TCM compounds ranked by Dock score

From: Identification of tyrosinase inhibitors from traditional Chinese medicines for the management of hyperpigmentation

Name

Dock score

LigScore

Binding energy

H-bond quantity

pi quantity

Predicted activity

SVM*

MLR*

BNT*

5-Hydroxy-L-tryptophan

131.298

4.48

− 271.189

4

3

4.629

5.837

3.990

Merresectine C

124.475

4.97

− 383.479

2

2

4.694

4.194

5.742

Bufotenine

121.222

4.08

− 339.691

4

1

4.783

4.812

4.090

Physostigmine

119.468

3.55

− 355.47

1

2

4.624

5.896

5.521

Datumetine

119.025

3.66

− 355.395

2

1

4.628

5.922

5.597

Neostemonine

119.006

3.49

− 318.602

1

2

4.607

4.308

5.614

(+)-N-Methyl tryptophan methyl ester (S)

118.319

3.4

− 343.524

2

1

4.745

4.999

4.760

Stephanthrine

117.947

4.16

− 302.581

1

4

4.625

6.282

5.961

Stephenanthrine

117.947

4.15

− 302.966

1

4

4.625

6.282

5.961

Tetrahydroharmol

117.175

3.31

− 336.938

2

5

4.800

5.653

4.961

Arbutin*

60.167

4.86

− 187.707

5

0

4.871

5.710

4.331

  1. Arbutin*: control; SVM*: support vector machine; MLR*: multiple linear regression; BNT*: bayesian network.