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Table 4 Result of the binding scores of the isolated compounds/ciprofloxacin with target receptor (PDB: 2OZ6)

From: Coumarin and fatty alcohol from root bark of strychnos innocua (delile): isolation, characterization and in silico molecular docking studies

Ligands Binding score (Kcal/mol) Protein interaction Types of interaction Bond distance Å
Umbelliferone − 6.9 ARG75 Conventional
Hydrogen bond
2.45
   GLY69   2.52
   GLU67   2.87
   LEU68   2.21
   SER76 Pi-Donor Hydrogen Bond 2.88
   ILE25 Pi-Alkyl 5.48
   ARG75   5.32
   LEU68   4.41
   ALA77   4.91
   ILE25   5.26
2,13-octadecadien-1-ol − 5.7 ALA77 Conventional
Hydrogen bond
2.59
   SER76   2.69
   LEU68 Alkyl 5.27
   ALA77   4.25
   ILE44   4.14
   LEU68   5.25
   ARG116   5.10
   ARG116   4.78
   ARG116   4.88
   ILE56   4.88
   ILE44   4.34
   ILE44   4.77
   ILE44   4.47
   LEU59   4.04
Ciprofloxacin − 8.7 GLU57 Pi-Anion 4.48
   ILE44 Pi-Sigma 3.99
   ALA77 Carbon Hydrogen Bond 2.52
   LEU68 Alkyl 4.76
   ALA77   5.14
   ALA77   4.72
   ILE56   4.42
   ALA77   4.72
   ARG116 Pi-Alkyl 4.84
   LEU68   5.43
   ILE44   4.16
   THR120 Conventional
Hydrogen bond
2.37
   GLY66   2.37