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Table 3 Result of the binding scores of isolated compounds/ciprofloxacin with active site of receptor (PDB: 3HO8)

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 − 5.6 TYR400 Conventional
Hydrogen bond
Pi-Alkyl
2.43
  GLY408 3.25
  LYS518 5.21
2,13-octadecadien-1-ol − 4.7 PRO410 Alkyl 4.25
  PRO410   4.97
  PRO410   4.06
  LYS519   4.50
  LYS519   4.30
  LEU926   5.27
  TYR400 Pi-Alkyl 4.98
  TYR923   5.46
  PHE409   4.90
  TYR400   4.93
Ciprofloxacin − 6.6 PRO410 Pi-Sigma 3.70
  PHE934 Pi-Alkyl 5.28
  PHE409   5.12
  PRO410   5.06
  LYS518 Alkyl 4.14
  PRO410   5.15
  ASN403 Conventional
Hydrogen bond
2.73