CoV-2 M pro enzyme was obtained from the Protein Data Bank (PDB ID: 5R82, resolution 1.31Å) . The mutant M pro R60C was prepared by inserting the point mutation using Discovery Studio software , and it was minimised using the Swiss PDB viewer application (). The crystal structure dataset for the Fusarium Cutinase enzyme was also obtained from the PDB (PDB ID: 1XZL, resolution 1.69 Å) along with the crystal structure dataset for DNA gyrase from Escherichia coli (PDB ID: 1KZN, resolution 2.30Å) . The theoretical values of the lethal dose (LD50) were also obtained in this study for a rat model-based ADMET predictor (). These techniques have been successfully employed for similar systems .