Table 3 The docking scores (pKd/pKi) of the docking simulation pose for each targeted proteins and intergradients of TCM.

From: Predicted molecular targets and pathways for germacrone, curdione, and furanodiene in the treatment of breast cancer using a bioinformatics approach

Proteins(PDB ID)

Furanodiene(636458)

Germacrone(6436348)

Curdione(6441391)

ESR1(3CBP)

5.769

6.021

5.815

ESR2(1QKM)

6.883

7.349

7.376

P53(3D06)

6.02

5.94

5.209

SRC(1O4R)

5.866

5.951

4.69

VDR(1IE9)

6.157

5.96

7.143

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