Discovery of target based novel pyrrolyl phenoxy derivatives as antimycobacterial agents: An in silico approach

Antitubercular activity of novel series of pyrrolyl phenoxy derivatives bearing alkoxy linker was analyzed. Molecular modeling, pharmacophore constructed using GALAHAD to produce an effective alignment of data set and evaluated by Pareto ranking, pharmacophore features were filtered by Surflex-dock study using enoyl ACP reductase from Mycobacterium tuberculosis. Crystal structure of highly active compound in a complex with InhA and H-bond is indicated by a dashed yellow line.