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Table 6 The binding energy, amino acid residues, hydrogen bonds, and hydrogen bond distance of reported ligands

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

Ligand-receptor Docking score (kcal/mol) Amino acid residues Hydrogen bonds H-bond distance (Å)
10 − 9.5 TYR29, LEU300, PRO323, MET393, CYS396, ARG436, LEU322, and HIS440 TYR29, HIS440, and GLU390 1.93247, 2.3299, and 3.68037
09 − 8.8 TYR29, PRO148, LEU322, PRO323, MET393, ARG436, and CYS396 ASN439, HIS440, and LEU28 2.20367, 2.8928, and 3.55365
26 − 8.3 PHE51, HIS94, VAL96, VAL96 ARG91, and GLU595 HIS94 and HIS94 2.81338 and 1.90271
14 − 8.6 HIS94, PHE200, and ARG91 HIS94 and HIS94 2.65814 and 2.02248