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Table 10 Docking analysis between designed compound 19h and the target (DNA gyrase)

From: Computational investigation, virtual docking simulation of 1, 2, 4-Triazole analogues and insillico design of new proposed agents against protein target (3IFZ) binding domain

Ligand Binding affinity (BA), kcal/mol Hydrogen bond Hydrophobic interaction
Amino acid Bond length (Ao) Amino acid
19h − 21.6 TRP103 2.32531 TRP103
   SER104 2.69785  
   GLY120 2.50087  
   GLY120 2.27506  
   PRO119 2.31546  
   VAL278 2.66424  
   TRP103 2.63031