Initially, the density functional theory (DFT) calculations were carried out using Gaussian 09 software which provided information about the compounds' stability and reactivity. 
Gaussian 09
Furthermore, Autodock suite and Molecular Operating Environment (MOE) software's were used to dock the ligand database into the active pocket of the NEK7 protein. 
Autodock suite
Furthermore, Autodock suite and Molecular Operating Environment (MOE) software's were used to dock the ligand database into the active pocket of the NEK7 protein. 
Molecular Operating Environment (MOE)
The drug likeness properties and toxicity profile of all compounds were determined by ADMETlab 2.0. 
ADMETlab 2.0