Trypanothione reductase

Journal Title, Volume, Page:

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

Year of Publication:

2013

Link:

http://link.springer.com/content/pdf/10.1007%2Fs00044-012-0238-0

Authors:

Taibi Ben Hadda

Laboratoire de Chimie des Matériaux, Département de Chimie, Faculté des Sciences d’Oujda, Université Mohammed Premier, 60000, Oujda, Morocco

[email protected]

Rahima Mouhoub

Laboratoire de Chimie des Matériaux, Département de Chimie, Faculté des Sciences d’Oujda, Université Mohammed Premier, 60000, Oujda, Morocco

Rahul Jawarkar

Department of Pharmaceutical Chemistry, Sahyadri College of Pharmacy, Methawde, Sangola, Solapur, Maharashtra, India

Vijay Masand

Department of Chemistry, Vidya Bharati Mahavidyalaya, Camp, Amravati, 444602, Maharashtra, India

Ismail Warad

Department of Chemistry, King Saud University, P. O. Box 2455, Riyadh, 11451, Saudi Arabia

Current Affiliation:

Department of Chemistry, Faculty of Science, An-Najah National University, Nablus, Palestine

[email protected]

Preferred Abstract (Original):

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.

An-Najah Staff

POM Analyses of Antitrypanosomal Activity of 2-Iminobenzimidazoles: Favorable and Unfavorable Parameters for Drugs Optimization