Speakers
Description
Abstract:
Benzimidazole, a fused heterocycle bearing benzene and imidazole has gained considerable attention of medicinal chemists throughout the world. The moiety is of substantial importance because of its wide array of pharmacological activities including but not limited to antibacterial, antifungal, anticancer, anti-inflammatory, analgesic, antimalarial, and antitubercular activity, etc. Considering future scope of benzimidazoles against HIV, this work demonstrates designing, synthesis and molecular docking studies on a new series of 7 benzimidazoles as potential anti-HIV agents. Molecular docking study was carried out on non-nucleoside inhibitory binding pocket (NNIBP) of HIV-1 RT (PDB ID:1RT2) receptor using Autodock Vina software. From our study, it was observed that compound 2b [2-(5,6-Dinitro-1H-Benzimidazole)-N-(4-ethylphenyl) Acetamide] exhibited highest docking score of -9.5 Kcal/mol and found to have strong interactions with amino acid residues via hydrogen bond interactions with LYS-103 amino acids of 1RT2. Thus, in the realm of developments of benzimidazoles as anti-HIV agents, we look forward for the further analysis of compound 2b.
Keywords: Benzimidazole , 1RT2, Molecular docking, HIV, NNIBP.