Novel 4-nitroimidazole analogues: synthesis, biological evaluation, studies, and molecular dynamics simulation.

A new series of 4-nitroimidazole bearing aryl piperazines , tetrazole and 1,3,4-thiadiazole derivatives was synthesized. All derivatives were screened for their anticancer activity against eight diverse human cancer cell lines (Capan-1, HCT-116, LN229, NCI-H460, DND-41, HL-60, K562, and Z138). Compound proved the most potent compound of the series inhibiting proliferation of most of the selected human cancer cell lines with IC values in the low micromolar range.