Published Paper Details:

The aim of this work is to establish a structure-activity relationship analysis of a series of benzimidazole derivatives and evaluate their binding mode. Benzimidazole derivatives were designed and evaluated for their antiviral activity against maize dwarf mosaic virus. Through molecular modeling the representation of 3D structures of antiviral molecules is done with the help of computerized techniques based on theoretical methods and experimental data. MDMV is targeted for the analysis as it infectivity on plants shows low or stunned growth in plants and its leaves thereby making a heavy loss to commercial value of the plant. MDMV is pathogenic plant virus of potyviridae family and its strains are A, C, D, E, and F which shows severe implications on plant leaves which turn into a mosaic pattern. The viral protein was modeled by homology modeling by selecting templates from the PDB database through alignment searching. The activity sites were identified in the target protein structure as cavities within the tool for docking studies. The docking studies were performed with the series of modeled molecules of 4-Floro-1-H (?-D-ribofuranosyl), 4-Chloro-1-H (?-D-ribofuranosyl), 4-Methylketon-1-H (?-D-ribofuranosyl), 4-Monochloromethyl-1-H (?-D-ribofuranosyl) benzimidazole nucleoside in which interaction between protein and ligand was analyzed.