Figure 1.
Structure of compound 1 and N′-benzoyl-3-(4-bromophenyl)-1H-pyrazole-5-carbohydrazide analogs and common structural characteristic of compound 1.
Figure 2.
Crystal structure of Staphylococcus aureus DNA gyrase co-complexed with inhibitor.
Table 1.
Chemical structures of 3a–3s.
Figure 3.
General synthesis of compounds 3a–3s.
Table 2.
Antimicrobial activity of the synthesized compounds.
Table 3.
Inhibitory effects of the selected title compounds against DNA gyrase.
Figure 4.
2D Ligand interaction diagram of compound 3k with DNA gyrase.
Figure 5.
3D model of the interaction between compound 3k and DNA gyrase binding site.
Figure 6.
The receptor surface model with compound 3k.
Table 4.
The docking calculation of the synthesized compounds (3a–3s).
Figure 7.
Molecular structure of compound 3n with atomic numbering scheme.
Figure 8.
Crystal packing of the compound 3n.
Table 5.
Crystallographic data, details of data collection and structure refinement parameters.
Table 6.
Hydrogen Bond Lengths (Å) and Bond Angles (°) of compound 3n.
Figure 9.
3D model of compound 3n.
Table 7.
Bond lengths from docking calculations and X-ray data for compound 3n.
Table 8.
Bond Angles from docking calculations and X-ray data for compound 3n.