The structure of the studied enzyme was sourced from the Protein Data Bank, specifically utilizing the crystal structure found under PDB entry 6NZN. The substrate employed in the present study was para-nitrophenyl acetate (p-NPA), which was optimized using the M06-2X/Def2-TZVP level of theory in the Gaussian16 software suite. Following this, the optimized structure was docked into the enzyme using AutoDock software. A variety of docked structures were evaluated as discussed below.