Virtual screening of fda‐approved drugs against triose phosphate isomerase from entamoeba histolytica and giardia lamblia identifies inhibitors of their trophozoite growth phase

Alfredo Juárez‐saldivar, Elizabeth Barbosa‐cabrera, Edgar E. Lara‐ramírez, Alma D. Paz‐gonzález, Ana V. Martínez‐vázquez, Virgilio Bocanegra‐garcía, Isidro Palos, Nuria E. Campillo, Gildardo Rivera

Research output: Contribution to journalArticlepeer-review

Abstract

Infectious diseases caused by intestinal protozoan, such as Entamoeba histolytica (E. histo-lytica) and Giardia lamblia (G. lamblia) are a worldwide public health issue. They affect more than 70 million people every year. They colonize intestines causing primarily diarrhea; nevertheless, these infections can lead to more serious complications. The treatment of choice, metronidazole, is in doubt due to adverse effects and resistance. Therefore, there is a need for new compounds against these parasites. In this work, a structure‐based virtual screening of FDA‐approved drugs was per-formed to identify compounds with antiprotozoal activity. The glycolytic enzyme triosephosphate isomerase, present in both E. histolytica and G. lamblia, was used as the drug target. The compounds with the best average docking score on both structures were selected for the in vitro evaluation. Three compounds, chlorhexidine, tolcapone, and imatinib, were capable of inhibit growth on G. lamblia trophozoites (0.05‐4.935 μg/mL), while folic acid showed activity against E. histolytica (0.186 μg/mL) and G. lamblia (5.342 μg/mL).

Original languageEnglish
Article number5943
JournalInternational Journal of Molecular Sciences
Volume22
Issue number11
DOIs
StatePublished - 1 Jun 2021

Keywords

  • Drug repositioning
  • FDA
  • Molecular docking
  • Protozoa
  • Virtual screening

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