The docking protocol involved aligning the compounds from the library to the pharmacophore model to identify potential binders . MOE's docking algorithm (Affinity dG scoring function) was used to simulate the interaction between each compound and the target binding site. Postdocking, each compound was scored based on its docking pose and the degree of match with the pharmacophore model. The scoring function in MOE provided a quantitative measure of the binding affinity. Compounds were then ranked based on their scores, with higher-scoring compounds considered more likely to be active.