Table 4 Docking scores and bonds of the docked inhibitors against proteins
From: Syringin exerts anti-breast cancer effects through PI3K-AKT and EGFR-RAS-RAF pathways
Component | PDB ID | Scores (kcal/mol) | Bonds formed between functional groups of component and protein residues | ||
|---|---|---|---|---|---|
Functional groups | Protein residues | Bond | |||
|  | 5F19 | − 7.68 | 2 (O) 11 (O) 19 (O) | A: HIS 39 A: CYS 47 A: ARG 469 | H-bond H-bond H-bond |
|  | 7JHP | − 6.53 | 9 (O) 7 (O) 9 (H) | A: ASP 33 A: LYS 147 A: ASP 119 | H-bond H-bond H-bond |
Syringin | 6DUK | − 6.25 | 19 (O) 20 (O) 24 (O) 19 (H) 24 (H) | A: CYS 797 B: LYS 737 B: LYS 739 A: ASP 800 B: LYS 739 | H-bond H-bond H-bond H-bond H-bond |
|  | 3ZIM | − 5.62 | 9 (O) 7 (O) 19 (O) 7 (H) 19 (H) | A: HIS 670 A: CYC 838 A: ALA 758 A: CYS 838 A: ASN 756 | H-bond H-bond H-bond H-bond H-bond |
|  | 3VVH | − 5.13 | 9 (O) 20 (O) 7 (H) | B: LYS 205 B: HIS 145 B: CYS 121 | H-bond H-bond H-bond |
|  | 2H5I | − 4.66 | 7 (O) | B: GLU 248 | H-bond |