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  Indian J Med Microbiol
 

Figure 6: (a) The output of AutoDock Vina. The Lines encircled in black show the top ten ligands (X-axis) from the results in terms of binding energy value given in kJ/mol (Y-axis). Five ligands mimicking the structure purine analogues is numbered as (ligand number, binding energy). (b) Interactions at the binding site between CDK4 protein and Linarin. (c) Interactions at the binding site between CDK4 protein and Flavopiridol. (d) Interactions at the binding site between CDK4 protein, an Isoquinolinedione. The structure in green is the ligand molecule. The green dotted lines indicate H-bond interactions between the residue and ligand. The residues surrounding the ligands are the ones involved in hydrophobic interaction with it

Figure 6: (a) The output of AutoDock Vina. The Lines encircled in black show the top ten ligands (X-axis) from the results in terms of binding energy value given in kJ/mol (Y-axis). Five ligands mimicking the structure purine analogues is numbered as (ligand number, binding energy). (b) Interactions at the binding site between CDK4 protein and Linarin. (c) Interactions at the binding site between CDK4 protein and Flavopiridol. (d) Interactions at the binding site between CDK4 protein, an Isoquinolinedione. The structure in green is the ligand molecule. The green dotted lines indicate H-bond interactions between the residue and ligand. The residues surrounding the ligands are the ones involved in hydrophobic interaction with it