3.11. Docking analysis
Molecular docking analysis of Chloroquine ligand was carried out with five structures of COVID-19 protein (PDB ID: 6M03, 5R7Y, 6W63, 5R81 and 5R84) performed using the iGEMDOCK program. The 3D structure of proteins-ligand complexes were constructed using Discovery Studio software. The goal of docking calculation is to predict the best binding orientation attraction and their protein targets while determining the activity of drug molecules. Fig. 13 illustrates the surfaces around ligand and 2D diagrams of Chloroquine molecule with the collection of COVID-19 proteins. The different energy contributions resulting from docking calculation are grouped in Table 8 . This table is ordered based on the total energy value which represents the sum of VDW, H-bonding and electronic interactions. With docking calculations, we have determined 10 poses. Here we present only the best pose which corresponds to minimal energies.