Synthesis, Characterization, DNA Binding, Docking, and Anticancer Studies of Novel Bis‐1,2,3‐triazoles Phthalonitrile

Abstract

Abstract Due to a great demand of new anticancer agents, novel series of phtalonitrile‐bis(1,2,3‐triazoles) appended with different functionalities were synthesized and characterized by FTIR, 1 H NMR, 13 C NMR and mass spectroscopy techniques. These were also screened for DNA binding, docking and anticancer activities. The DNA binding constants were in the range of 1.33×10 5 to 12.60×10 5 M −1 ; indicating strong binding affinity. The maximum anticancer activity was 79 % in A549 and H1299 lung cancer cell lines. The docking study suggested good interactions of the reported molecules with DNA through hydrogen bonding and hydrophobic interactions. All these results confirmed that the reported molecules have good anticancer activities. Therefore, these 1,2,3‐triazole scaffolds may be promising molecules as potential anticancer candidates in the future.