Table 3.
Top ten targets with their source composition information and docking score
| No | Target (PDB-ID) | Degree | Molecule Name | Docking Score | No | Target (PDB-ID) | Degree | Molecule Name | Docking Score |
|---|---|---|---|---|---|---|---|---|---|
| 1 | GAPDH (6YNE) | 77 | Ethyl ferulate | −4.8 | 6 | CASP3 (5IBP) | 58 | Salvianolic acid B | −6 |
| 2 | ALB (1N5U) | 73 | protocatechuic acid | −5.8 | Benzoylpaeoniflorin | −7.7 | |||
| 3 | TNF (5UUI) | 70 | Galuteolin | −7.2 | Rosmarinic acid | −5.5 | |||
| Rosmarinic acid | −7.3 | Ethyl ferulate | −5.2 | ||||||
| Hyperoside | −5.5 | Chlorogenic acid | −6.3 | ||||||
| Rutin | −7.9 | 7 | STAT3 (6SM8) | 55 | Cryptotanshinone | −9.3 | |||
| 4 | EGFR (3IZ7) | 63 | Tanshinol | −5.1 | Caffeic acid | −6.6 | |||
| Caffeic acid | −5.5 | Ethyl ferulate | −6.7 | ||||||
| Albiflorin | −6.5 | Ferulic acid | −6.6 | ||||||
| Galuteolin | −6.9 | 8 | MAPK8 (4QTD) | 49 | Rosmarinic acid | −4.7 | |||
| Rosmarinic acid | −5.3 | 9 | PTGS2 (5IKT) | 48 | Cryptotanshinone | −9 | |||
| Ethyl ferulate | −5.4 | Butylidenephthalide | −8 | ||||||
| Quercetin | −7.1 | Galuteolin | −8.3 | ||||||
| Ferulic acid | −5.5 | Hyperoside | − 8.8 | ||||||
| Luteolin | −7.1 | Rutin | −8.7 | ||||||
| Apigenin | −7.2 | Ferulic acid | −6.7 | ||||||
| Luteolin | −8.4 | ||||||||
| 5 | MAPK1 (6RFO) | 61 | Caffeic acid | −6.3 | Apigenin | −8.6 | |||
| Ethyl ferulate | −5.9 | 10 | JUN (6I0J) | 47 | Salvianolic acid B | −6.9 |