We used AutoDock Vina which uses a function which has an empirical and knowledge based powerful hybrid scoring, the software employs an optimized search which is iterated till a considerably accepted solution is found for the minimum-energy docking conformations . The comparison of interaction of GRL0617 with the amino acid residues of PLPro and the model obtained using the template 3e9s is shown in Fig. and Fig. respectively. a distance of 1.97, the latter exhibits a Pi-Pi Stacking at a distance of 4.51. This is responsible for the slightly higher affinity of AZP to 3CLPro than AZP to the model. The former having an affinity (Kcal/mol) of -7.4 and the latter having -7.1.