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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