Research Article
[Retracted] Betamethasone Dipropionate Derivatization, Biotransformation, Molecular Docking, and ADME Analysis as Glucocorticoid Receptor
Table 2
In silico ADME assessment and binding affinities of biotransformed products of betamethasone dipropionate.
| Compounds | Binding affinity kcal/mol | Mol. weight g/ol | HBA | HBD | TPSA Å2 | Log | GI absorption | BBB | P-gp substrate | Lipinski violations |
| 1 | -10.94 | 504.59 | 8 | 1 | 106.97 | 3.36 | High | No | Yes | 1 | 2 | -10.11 | 502.57 | 8 | 8 | 103.81 | 3.11 | High | No | Yes | 1 | 3 | -11.16 | 444.49 | 7 | 1 | 97.74 | 2.64 | High | No | Yes | 0 | 4 | -12.53 | 390.45 | 6 | 2 | 91.67 | 2.23 | High | No | Yes | 0 | 5 | -11.37 | 372.43 | 5 | 1 | 71.44 | 3.65 | High | Yes | Yes | 0 |
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