POM virtual screening and docking of compounds 2-iminobenzimidazoles (IBIZ) as a novel class of trypanothione reductase inhibitors are described. These 2-IBIZ display potent trypanocidal activity against Trypanosoma brucei rhodesiense, with low cytotoxicity. A hypothetical mechanism based on bioinformatic analyses is proposed. The ligands with two neighbor pockets leading to bimetallic (M-Ligand-M/enzyme) complexes are more active than similar ligand without the two terminal arms.

العنوان

Medicinal Chemistry Research May 2013, Volume 22, Issue 5, pp 2437-2445

الناشر

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بلد الناشر

فلسطين

نوع المنشور

Both (Printed and Online)

المجلد

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السنة

2013

الصفحات

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