Table 2 Molecular docking results of 9 proliferation-apoptosis related genes and corresponding compounds of CS
Number | Hub genes | PDB ID | Compound | Docking affinity(Kcal/mol) |
|---|---|---|---|---|
1 | AKT1 | 4EKL | Cholesteryl palmitate | -7.5 |
Linoleyl acetate | -4.9 | |||
2 | CSAP3 | 3GJQ | Arachidonic acid | -5.3 |
Beta sitosterol | -9.8 | |||
3 | EGF | 2KV4 | Arachidonic acid | -5.3 |
4 | JNK1 | 3PZE | Cerevisterol | -8.1 |
Peroxyergosterol | -8.8 | |||
5 | MAPK1 | 6RQ4 | Arachidonic acid | -5.9 |
6 | MMP9 | 6ESM | Arachidonic acid | -7.2 |
7 | PTEN | 1D5R | Arachidonic acid | -6.1 |
8 | RELA | 1NFI | Arachidonic acid | -4.9 |
9 | VEGFA | 1VPF | CLR | -6.6 |