*2.4.2 Library preparation and pharmacophore validation*

LigandScout 4.3 was used for screening a total of 5813 compounds including 885 AfroDb entries found in ZINC database [35] and 4928 NANPDB compounds [36]. The two actives were converted to SMILES format and submitted to the Directory of useful decoys and enhanced (DUD-E) database to generate decoys for the screening [37]. A total of 100 decoys were generated and used as a decoy library. The libraries were then converted into a .ldb file format. The reliability of the pharmacophore model was validated by the area under the receiver operating characteristic (ROC) curve (AUC) [38] using two descriptors, selectivity and sensitivity.
