We utilized two computational drug design methodologies to propose an efficient blocking and viable treatment for COVID-19. Moreover, molecular docking results are complemented with a simplified approach of selecting the presumed most reactive peptide-sequence (b6) of the Spike of the S-Sars-Cov2 proteins using the DFT quantum chemical method to shed light on the electronic nature of the interactions utilizing a non-expensive way of drug trusting. Furthermore, DFT computations enable us to obtain invaluable information about the drug reactivity indices.