Table 5 Score, energy and interactions of DIAZ1 &DIAZ2 with NS5B RNA Polymerase(PDB ID: 3CSO)
From: Synthesis, crystal structures and docking studies of 2,7-diphenyl-1,4-diazepan-5-one derivatives
Docking score | Glide energy (kcal/mol) | Type of interaction | Bond length (Å) | |
|---|---|---|---|---|
DIAZ 1 | −6.983 | −41.286 | N-H…O (CYS366) | 3.11 |
O-H…O (SER368) | 2.69 | |||
N-H…O (TYR415) | 3.18 | |||
DIAZ 2 | −7.246 | −44.008 | N-H…O (TYR448) | 3.02 |
Co-crystal | −8.645 | −60.956 | N-H…O (TYR448) | 2.90 |