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Table 7 The binding energy, amino acid residues, hydrogen bonds, and hydrogen bond distance of design compounds and the standard drug

From: Theoretical investigation and design of some indole derivatives as potent β-glucuronidase inhibitors

S/No. Binding energy (kcal/mol) Amino acid residues Hydrogen bonds H-bond distance (Å)
ID 1 − 9.6 GLU540, ASP207, GLU451, GLU451, and TYR505 GLU540 and TYR205 1.65184 and 2.08484
ID 2 − 9.8 GLU540, SP207, GLU451, ASN484, GLU451, ASP207, TYR508, and TYR505 GLU540 and TYR205 1.97506 and 1.81287
ID 3 − 9.7 GLU540, ASP207, GLU451, HIS509, GLU451, GLU451, and ASP207 GLU540, TYR205, TYR505, TYR205, TYR508, and ASN484 1.87415, 2.36282, 1.99757, 2.90634, 2.90057, and 3.18503
ID 4 − 9.9 GLU540, ASP207, GLU451, GLU451, GLU451, and SP207 GLU540 and TYR505 1.86751 and 2.71161
Std drug − 5.7   ASN502 and GLN524 2.42729 and 3.44886
  1. Standard drug = D-saccharic acid 1,4-lactone