Synthesis, anticancer evaluation and molecular docking studies of new benzimidazole- 1,3,4-oxadiazole derivatives as human topoisomerase types I poison.

In this study, some benzimidazole-oxadiazole derivatives were synthesised and tested for their anticancer activities on five cancer cell lines, including HeLa, MCF7, A549, HepG2 and C6. Their structures were elucidated by IR, H-NMR, C-NMR, 2 D-NMR and HRMS spectroscopic methods. Among all screened compounds; , , , , , , and exhibited potent selective cytotoxic activities against various tested cancer cell lines. Especially, compounds and exhibited the most antiproliferative activity than Hoechst 33342 and doxorubicin against HeLa cell line, with IC of 0.224 ± 0.011 µM and 0.205 ± 0.010 µM, respectively. Furthermore, these potent lead cytotoxic agents were evaluated in terms of their inhibition potency against Topoisomerase I and it was determined that selected compounds inhibited the Topoisomerase I. Docking studies were performed and probable interactions in the DNA-Topo I enzyme complex was determined.