Table 2.
Molecular docking analysis between puerarin and key protein targets.
| Proteins | PDB | Binding energy(kcal/mol) | Amino acid residue |
|---|---|---|---|
| AKT1 | 8R5K | −7.73 | ALA-112; TYR-113; LYS-88; GLY-84; TYR-57 |
| ALB | 6YG9 | −6.53 | ARG-257; CYS-246; GLN-204; GLN-196; ARG-197; ASP-108; TYR-148 |
| HIF1A | 1H2K | −5.14 | THR-65; GLY-268; GLU-19; ASN-68 |
| IL6 | 1ALU | −6.55 | LYS-86; LYS-66; LEU-165; LEU-62 |
| JUN | 5FV8 | −4.60 | GLU-32; LEU-34; LEU-31; ALA-32; GLN-30 |
| NFKB1 | 8TQD | −7.35 | VAL-133; ALA-137; LYS-116; THR-126 |
| PPARG | 1FM9 | −5.63 | LEU-340; GLU-259; ARG-280 |
| PTGS2 | 5F19 | −4.94 | ARG-376; ASN-375 |
| TGFB1 | 5VQP | −3.70 | GLU-261; GLN-268 |
| TNF | 2AZ5 | −6.48 | GLN-125; ASN-92; TYR-87 |