Design, synthesis, biological evaluation and molecular dynamics of some novel 3-phenylpyrazolo[1,5-]pyrimidine-2,7(1,4)-dione based compounds as anti-tubercular agents.

Decaprenylphosphoryl-β-d-ribose-2'-epimerase (DprE1) is a druggable target which is being exploited for the development of new anti-TB agents. In the present work, we report developing a pharmacophore model and performing virtual screening of Asinex database using the developed pharmacophore model to get eight hits as potential DprE1 inhibitors. The hits were used as leads to design new 3-phenylpyrazolo[1,5-]pyrimidine-2,7(1,4)-dione based potential anti-TB agents.