دورية أكاديمية
Identification of novel leishmanicidal molecules by virtual and biochemical screenings targeting Leishmania eukaryotic initiation factor 4A.
| العنوان: | Identification of novel leishmanicidal molecules by virtual and biochemical screenings targeting Leishmania eukaryotic initiation factor 4A. |
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| المؤلفون: | Harigua-Souiai, Emna, Abdelkrim, Yosser Zina, Bassoumi-Jamoussi, Imen, Zakraoui, Ons, Bouvier, Guillaume, Essafi-Benkhadir, Khadija, Banroques, Josette, Desdouits, Nathan, Munier-Lehmann, Hélène, Barhoumi, Mourad, Tanner, N. Kyle, Nilges, Michael, Blondel, Arnaud, Guizani, Ikram |
| المصدر: | PLoS Neglected Tropical Diseases; 1/18/2018, Vol. 12 Issue 1, p1-31, 31p |
| مصطلحات موضوعية: | LEISHMANIASIS treatment, DRUG use testing, DRUG toxicity, TARGETED drug delivery, INITIATION factors (Biochemistry), BINDING sites |
| مستخلص: | Leishmaniases are neglected parasitic diseases in spite of the major burden they inflict on public health. The identification of novel drugs and targets constitutes a research priority. For that purpose we used Leishmania infantum initiation factor 4A (LieIF), an essential translation initiation factor that belongs to the DEAD-box proteins family, as a potential drug target. We modeled its structure and identified two potential binding sites. A virtual screening of a diverse chemical library was performed for both sites. The results were analyzed with an in-house version of the Self-Organizing Maps algorithm combined with multiple filters, which led to the selection of 305 molecules. Effects of these molecules on the ATPase activity of LieIF permitted the identification of a promising hit (208) having a half maximal inhibitory concentration (IC |
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| قاعدة البيانات: | Complementary Index |
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