Research Article
Identifying the Mechanism of Polygoni Cuspidati Rhizoma et Radix in Treating Acute Liver Failure Based on Network Pharmacology and Molecular Docking
Table 4
Results of 15 core target genes and related bioactive compounds of molecular docking.
| | No. | Targets | PDB ID | Compound | Binding affinity(kcal/Mol) |
| | 1 | AKT1 | 3O96 | Luteolin | -9.8 | | | Physovenine | -8.6 | | | Quercetin | -9.7 | | | β-Sitosterol | -10.9 | | 2 | CDKN1A | 6P8H | Luteolin | -6.4 | | | Physovenine | -5.9 | | | Quercetin | -6.0 | | | β-Sitosterol | -6.9 | | 3 | EGFR | 1 M17 | Luteolin | -8.4 | | | Physovenine | -7.2 | | | Quercetin | -8.5 | | | β-Sitosterol | -8.5 | | 4 | ESR1 | 1A52 | Luteolin | -8.7 | | | Physovenine | -7.6 | | | Quercetin | -8.4 | | | β-Sitosterol | -4.2 | | 5 | FOS | 1A02 | Luteolin | -5.6 | | | Physovenine | -4.9 | | | Quercetin | -5.0 | | | β-Sitosterol | -5.5 | | 6 | HSP90AA1 | 7L7I | Luteolin | -9.8 | | | Physovenine | -8.0 | | | Quercetin | -10.2 | | | β-Sitosterol | -7.2 | | 7 | IL-6 | 1ALU | Luteolin | -8.0 | | | Physovenine | -6.4 | | | Quercetin | -7.9 | | | β-Sitosterol | -6.6 | | 8 | JUN | 1JNM | Luteolin | -5.4 | | | Physovenine | -4.8 | | | Quercetin | -5.4 | | | β-Sitosterol | -5.4 | | 9 | MAPK1 | 1PME | Luteolin | -9.2 | | | Physovenine | -7.5 | | | Quercetin | -8.5 | | | β-Sitosterol | -8.8 | | 10 | MAPK14 | 1A9U | Luteolin | -7.5 | | | Physovenine | -6.9 | | | Quercetin | -7.2 | | | β-Sitosterol | -8.2 | | 11 | MYC | 5I4Z | Luteolin | -6.5 | | | Physovenine | -5.6 | | | Quercetin | -6.1 | | | β-Sitosterol | -6.9 | | 12 | RB1 | 4EIJ | Luteolin | -8.5 | | | Physovenine | -7.0 | | | Quercetin | -8.4 | | | β-Sitosterol | -6.9 | | 13 | RELA | 1NFI | Luteolin | -7.4 | | | Physovenine | -6.4 | | | Quercetin | -7.0 | | | β-Sitosterol | -7.0 | | 14 | TNF | 1TNF | Luteolin | -7.0 | | | Physovenine | -5.7 | | | Quercetin | -6.9 | | | β-Sitosterol | -6.6 | | 15 | TP53 | TP53 | Luteolin | -7.1 | | | Physovenine | -6.0 | | | Quercetin | -7.3 | | | β-Sitosterol | -6.0 |
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