Table 1 Docking scores between the main active ingredients and key targets in SJD
PDB ID | Target | Expression location in cells | Ingredients | Docking score |
|---|---|---|---|---|
1A8M | TNF-α | Cell membrane/Extracellular | Mudanpioside E | -7.1288 |
aBenpyrine | -8.2680 | |||
aTNF-alpha-IN-2 | -2.9090 | |||
5AX3 | STAT3 | Cytoplasm/Nucleus | Timosaponin C | -8.2569 |
Timosaponin B II | -8.3269 | |||
Macrostemonoside H | -8.7870 | |||
bStattic | -5.8227 | |||
bCryptotanshinone | -6.7568 | |||
1IVO | EGFR | Cell membrane/Nucleus/Endoplasmic reticulum/Golgi apparatus membrane/Nuclear membrane | Timosaponin A I | -8.5874 |
cTyrphostin B42 | -6.77882 | |||
cGefitinib | -7.9708 | |||
1M2Z | NR3C1 | Cell nucleus/Cytoplasm/Mitochondria/Spindle/Centrosome/Cytoskeleton/Microstructural center | Chikusetsusaponin IVa | -8.2556 |
1A9U | MAPK14 | Cytoplasm/Nucleus | Timosaponin A I | -7.4516 |
1CP3 | CASP3 | Cytoplasm | Chikusetsusaponin IVa | -7.3161 |