Synthesis and Characterization of Novel Indole Containing 1,2,3-Triazole Linked 1,3,4-Thiadiazole Hybrids: Evaluation of Anticancer Activity and Molecular Docking Studies

Novel scaffolds containing indole, 1,2,3-triazole linked thiadiazole derivatives (9a-l) were synthesized and confirmed with analytical techniques like 1H NMR, 13C NMR and LC-MS. All the compounds were further screened for their anticancer activity against two cancer cell lines A-549 and MCF-7 by making use of MTT assay and doxorubicin as standard drug. Among the compounds 9c, 9d and 9e demonstrated prominent activity against the tested cancer cell lines A-549 and MCF-7 cell lines compared to doxorubicin. Auto dock Vina of PyRx tool was employed in order to perform molecular docking studies on ERK2. Interestingly, the binding energies and interactions acquired from docking results of compounds are in accordance with the investigatory data.