Research Article
Molecular Docking Study Characterization of Rare Flavonoids at the Nac-Binding Site of the First Bromodomain of BRD4 (BRD4 BD1)
Table 5
Docking score, amino acids interacted, and H-bond length of multiple crystal structure of BRD4 (BD1) with 3-O-acetylpinobanksin.
| Serial number | Ligand | PDB | RMSD Å | Docking score kcal/mol | Amino acids interacted through hydrogen bonding | H-bond length Å |
| 01 | 3-O-Acetylpinobanksin | 3MXF | 0.96 | −6.38 | MET105 TYR97 ASN140 | 2.21 1.89 2.10 | 02 | 3U5J | 0.94 | −6.29 | MET132 ASN140 | 2.29 1.84 | 03 | 4NUC | 0.89 | −6.44 | TYR97 ASN140 MET132 | 2.25 2.12 1.97 | 04 | 4C66 | 1.00 | −6.40 | MET132 TYR97 ASN140 | 2.08 2.39 1.85 |
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