Bioorganic Chemistry 2015-08-01

Synthesis of benzimidazole derivatives as potent β-glucuronidase inhibitors.

Muhammad Taha, Nor Hadiani Ismail, Syahrul Imran, Manikandan Selvaraj, Hesham Rashwan, Fatin Ummi Farhanah, Fazal Rahim, Krishnan Selvarajan Kesavanarayanan, Muhammad Ali

文献索引：Bioorg. Chem. 61 , 36-44, (2015)

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摘要

Twenty five 4, 6-dichlorobenzimidazole derivatives (1-25) have been synthesized and evaluated against β-glucuronidase inhibitory activity. The compounds which actively inhibit β-glucuronidase activity have IC50 values ranging between 4.48 and 46.12 μM and showing better than standard d-saccharic acid 1,4 lactone (IC50=48.4 ± 1.25 μM). Molecular docking provided potential clues to identify interactions between the active molecules and the enzyme which further led us to identify plausible binding mode of all the benzimidazole derivatives. This study confirmed that presence of hydrophilic moieties is crucial to inhibit the human β-glucuronidase.Copyright © 2015 Elsevier Inc. All rights reserved.