Design, Synthesis and Vasorelaxant activity of 5-Nitro Benzimidazole Derivatives

Datani, Radhika H and Kini, Suvarna G and Mubeen, Muhammad (2012) Design, Synthesis and Vasorelaxant activity of 5-Nitro Benzimidazole Derivatives. Journal of Computational Methods in Molecular Design, 2 (4). pp. 149-157. ISSN 2231- 3176

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Docking studies of twenty novel 5-nitro benzimidazoles was done with the help of VLife MDS3.5software using GRIP batch docking method by taking AT-2 receptor model with bovine rhodopsin crystal structure as a target. Based on the docking scores of the designedmolecules which ranged from -14.39 to -36.16 , the 5-nitro benzimidazole derivatives were synthesized by refluxing 4-nitro-1,2-phenylenedimaine in dimethoxyethane with various substituted aromatic aldehydes in the presence of sodium metabisulphite as oxiding agent. The test compounds were characterized by TLC, melting point, UV, IR, 1H NMR and mass spectroscopy. All the compounds were evaluated for ex-vivovasorelaxant activity in rat aorta rings pre-contracted with phenylepherine.Compounds BDZ3, BDZ6, BDZ12, BDZ18 and BDZ20 showed good vasorelaxant activity (EC50<30 μM).

Item Type: Article
Uncontrolled Keywords: Nitrobenzimidazoles, docking, angiotensin-II, Vasorelaxant.
Subjects: Pharmacy > MCOPS Manipal > Pharmaceutical Chemistry
Depositing User: KMC Manipal
Date Deposited: 14 Jan 2013 05:18
Last Modified: 14 Jan 2013 05:18

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