Perez-Villanueva, Jaime published the artcileThe giardicidal activity of lobendazole, fabomotizole, tenatoprazole and ipriflavone: A ligand-based virtual screening and in vitro study, Formula: C12H9N3O5S, the main research area is Giardia iobendazole fabomotizole tenatoprazole ipriflavone giardicidal virtual screening; Fabomotizole; Giardia intestinalis; Ipriflavone; Lobendazole; Tenatoprazole; Virtual screening.
A ligand-based virtual screening study to search for giardicidal compounds on a 6551 ChEMBL drugs database was carried out using mol. similarity. Three fingerprints implemented in MayaChemTools with different design and validated by ROC curves, were used. Twelve compounds were retrieved from this screening, from which, four representative compounds were selected to carry out biol. assays. Whereas two compounds were com. available, the addnl. two compounds were synthesized during the development of this work. The biol. assays revealed that the compounds possess in vitro activity against five strains of Giardia intestinalis, each with different susceptibility/resistance rates to metronidazole, albendazole and nitazoxanide. Particularly, tenatoprazole showed the best effect against the WB and IMSS strains. Furthermore, fabomotizole, tenatoprazole and ipriflavone showed a higher activity against resistant strains than the reference drugs: metronidazole, albendazole and nitazoxanide.
European Journal of Medicinal Chemistry published new progress about Drug resistance. 55981-09-4 belongs to class esters-buliding-blocks, name is 2-((5-Nitrothiazol-2-yl)carbamoyl)phenyl acetate, and the molecular formula is C12H9N3O5S, Formula: C12H9N3O5S.
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