POM Analyses of Antitrypanosomal Activity of 2-Iminobenzimidazoles: Favorable and Unfavorable Parameters for Drugs Optimization
- Publication Type
- Original research
- Authors
- Taibi Ben Hadda
- Rahima Mouhoub
- Rahul Jawarkar
- Vijay Masand
- Ismail Warad
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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.
Journal
- Title
- Medicinal Chemistry Research May 2013, Volume 22, Issue 5, pp 2437-2445
- Publisher
- --
- Publisher Country
- Palestine
- Publication Type
- Both (Printed and Online)
- Volume
- --
- Year
- 2013
- Pages
- --