Table 4. Results of the molecular docking of the six core genes with compounds of SXXTDP.
Number | Core genes | PDB ID | Compound | Docking affinity (kcal/mol) |
---|---|---|---|---|
1 | MAPK1 | 5lck | Quercetin | -8.4 |
2 | MAPK14 | 2qd9 | Myricanone | -7.2 |
3 | MMP9 | 2ow1 | Quercetin | -7.9 |
4 | NFKBIA | 6y1j | Quercetin | -7.7 |
5 | CASP8 | 3kjq | Quercetin | -7.7 |
6 | PTGS2 | 5f19 | Perlolyrine | -8.0 |
Myricanone | -7.6 | |||
Mandenol | -6.1 | |||
Kaempferol | -9.3 | |||
(+)-catechin | -8.5 | |||
Wallichilide | -6.2 |