Application of molecular topology to the prediction of antiparasitic activity against Giardia intestinalis and Trichomonas vaginalis of derived from 2-Acylamino-nitro-1,3-thiazole.

  • Gloria María Castellano Estornell Universidad Católica de Valencia “San Vicente Mártir”
Keywords: Molecular topology, QSAR, Giardia intestinalis, Trichomonas vaginalis.

Abstract

Giardia intestinalis and Trichomonas vaginalis stand out for their clinical importance. G.intestinalis causes giardiasis, a parasitosis of great epidemiological and clinical importance due to its high prevalence. T. vaginalis causes trichomoniasis, the non-viral sexually transmitted disease (STD) with the highest incidence in the world. Both parasitosis share the same pharmacological treatment: nitroimidazoles. Molecular topology has been applied in the search for derivatives of 2-Acylamino-nitro-1,3-thiazole with antiparasitic activity against G.intestinalis and T.vaginalis. Using linear discriminant analysis it was obtained a model that could correctly classify the activity of 92,85% of the compounds studied in both parasites. To predict antiparasitic activity, a multilinear regression analysis was carried out that could explain 83.2% of the variance in G.intestinalis, and 89.4% in T.vaginalis. Finally, a molecular screening was carried out to look for new potentially active compounds against both parasites.

Published
2020-06-26