Synthesis, anticancer evaluation and in-silico molecular docking studies of Benzimidazole-containing ۱,۲,۳-Triazoles

In an attempt to find potential cytotoxic agents, a seriesof novel hybrid molecules containing ۱,۲,۳-triazole linked benzimidazole derivatives (۹a-f & ۱۴a-f ) were synthesized and identified by using various analytical techniques like ۱H-NMR, ۱۳C-NMR, and ESI-MS. The newly synthesized hybrid molecules (۹a-f & ۱۴a-f) were screened for their in vitro anticancer activity against two human cancer cell lines A-۵۴۹ and MCF-۷ using doxorubicin as a standard drug.The compounds ۹e, ۹b, ۱۴e, and ۱۴b showed superior activity against both A-۵۴۹ and MCF-۷ cells with IC۵۰ of ۲۰.۱۸±۰.۹۰, ۲۵.۲۳±۱.۳۲, ۲۳.۱۶±۰.۳۴, ۲۸.۲۹±۲.۳۲, ۲۱.۲۶±۰.۸۳, ۲۶.۳۷±۲.۳۴ and ۲۹.۶۷±۰.۴۹, ۳۰.۳۵±۲.۳۴µM, respectively than the standard drug doxorubicin. Molecular docking studies of synthesized compounds are in adequate consent with the anticancer cancer results.

Keywords:

۱ , ۲ , ۳-triazole , Benzimidazole , anticancer activity and molecular docking