Synthesis of 1,2,3‐Triazole Tethered Indole Derivatives: Evaluation of Anticancer Activity and Molecular Docking Studies

Abstract Cancer is a major death‐causing disease all over the world for the past few decades. A novel series of 1,2,3‐triazole tethered indole (7a‐l) derivatives have been synthesized and their structures were confirmed by 1 HNMR, 13 CNMR, and mass spectral data. All these compounds (7a –l) were screened for anticancer activity against two human cancer cell lines such as MCF‐7 and HepG‐2 cells by MTT assay. Compounds substituted with 4‐hydroxy, 4‐methoxy, 2‐methyl , and 3‐acetyl groups exhibited more potent activity against MCF‐7 and HepG‐2 cell lines with best IC 50 values than standard reference Doxorubicin. Molecular docking studies performed on crystal structures of Aurora kinase‐1 and DNA topoisomerase‐2 alpha showed remarkable binding affinity values and key interactions as compared to the standard reference Doxorubicin.