Molecular topology has been applied to search for new benzimidazole derivatives with antiprotozoal activity against Trichomonas vaginalis and Giardia intestinalis. From linear discriminant analysis results, two models based on 4 descriptors (in the case of T. vaginalis) and 5 descriptors (in the case of G. intestinalis), demonstrated to be capable to predict correctly the activity of each compound tested. After a virtual screening using both models, new chemical structures potentially active against T. vaginalis and G. intestinalis are proposed.

Keywords: Molecular topology, antiprotozoal activity, Trichomonas vaginalis, Giardia intestinalis, QSAR analysis