Virtual Screening of FDA-Approved Drugs against Triose Phosphate Isomerase from <i>Entamoeba histolytica</i> and <i>Giardia lamblia</i> Identifies Inhibitors of Their Trophozoite Growth Phase
Infectious diseases caused by intestinal protozoan, such as <i>Entamoeba histolytica</i> (<i>E. histolytica</i>) and <i>Giardia lamblia</i> (<i>G. lamblia</i>) are a worldwide public health issue. They affect more than 70 million people every year. The...
| Main Authors: | , , , , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2021-05-01
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| Series: | International Journal of Molecular Sciences |
| Subjects: | |
| Online Access: | https://www.mdpi.com/1422-0067/22/11/5943 |
| Summary: | Infectious diseases caused by intestinal protozoan, such as <i>Entamoeba histolytica</i> (<i>E. histolytica</i>) and <i>Giardia lamblia</i> (<i>G. lamblia</i>) 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 performed to identify compounds with antiprotozoal activity. The glycolytic enzyme triosephosphate isomerase, present in both <i>E. histolytica</i> and <i>G. lamblia</i>, 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 <i>G. lamblia</i> trophozoites (0.05–4.935 μg/mL), while folic acid showed activity against <i>E. histolytica</i> (0.186 μg/mL) and <i>G. lamblia</i> (5.342 μg/mL). |
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| ISSN: | 1661-6596 1422-0067 |