QSAR and Molecular Docking Directed Synthesis and Preliminary Evaluation of Novel Non-Nucleoside HCV NS5B Polymerase Inhibitors

Author(s): Vaishali M. Patil*, Neeraj Masand, Gurukumar K. R, Maksim Chudayeu, Satya Prakash Gupta, Subeer Samanta, Neerja Kaushik-Basu.

Journal Name: Anti-Infective Agents

Volume 15 , Issue 1 , 2017

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Abstract:

In HCV genome, the NS5B RNA-dependent RNA polymerase (RdRp) plays central role in the replication. It is the most preferred target for design and screening of small molecule HCV inhibitors. From in house compound library screening using NS5B polymerase enzymatic assay, we identified some benzimidazole derivatives. The activities were predicted using the QSAR generated models. Along with QSAR predictions, molecular docking studies help to study binding of these series of compounds at allosteric pocket (AP-1).

Keywords: Benzimidazole derivatives, anti-HCV agents, NS5B polymerase inhibitors, molecular docking.

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Article Details

VOLUME: 15
ISSUE: 1
Year: 2017
Page: [52 - 56]
Pages: 5
DOI: 10.2174/2211352514666161125124846
Price: $58

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