Table 3 Molecular docking analysis of ornidazole with target proteins involved in cell division.

From: Toxicological insights into the non-target effects of ornidazole using the Allium cepa bioassay system

Target protein

Free energy of binding

Inhibition constant

Hydrogen bond

interactions

Hydrophobic

interactions

Tubulin alpha-1B chain

− 4.32

682.06

GLN11 (x2)

ALA12,SER140

ASN101,ASP69

GLU71

–

Tubulin beta chain

− 4.30

703.55

ARG276 (x3)

LEU215 (x3)

LEU217, ARG276

DNA topoisomerase I

− 6.27

25.33

ASP533 (x2)

ARG364

ARG364

HIS367, LYS532

DNA topoisomerase II

− 5.19

156.85

ARG661 (x2)

GLY859 (x2)

GLY857, ALA652

THR858,PHE653

  1. Free energy of binding: kcal/mol; inhibition constant: uM.
Back to article page