In accordance with the International Union of Pure and Applied Chemistry (IUPAC), a pharmacophore is characterized as the aggregate of steric and electronic attributes that are requisite to guarantee the optimal supra-molecular interactions with a specific biological target structure, thereby inducing (or inhibiting) its biological response . The underlying premise of pharmacophoric modeling is that the presence of common chemical functionalities, coupled with a similar spatial arrangement, would culminate in biological activity on the same target. The most critical pharmacophoric feature types encompass hydrogen bond acceptors, hydrogen bond donors, hydrophobic regions, positively and negatively ionizable groups, aromatic groups, and metal coordinating areas. Pharmacophore models can be classified into two primary categories: ligand-based models and structure-based models.