Synthesis, characterization, biological evaluation and molecular docking of novel amide derivatives of indole-1,2,4-oxadiazole clubbed thiazoles

In the present study, a series of some novel amide derivatives of indole-1,2,4-oxadiazole clubbed thiazoles (12a -j) were designed and prepared. Further, all synthesized compounds were characterized and confirmed by FT-IR, 1 H and 13 C NMR and mass spectral studies. Antiproliferative activity of these compounds against four human cancer cell lines such as SiHa (cervix), A549 (lung), MCF-7 (breast) and Colo-205 (colon) evaluated by using of MTT assay and compared with therapeutic agent etoposide. Among them, compounds 12a, 12b, 12c, 12d and 12e demonstrated very potent activity. Molecular modeling studies were performed on the binding site of Human Protein tyrosine kinase 6 (PTK6) to correlate the outcome of in vitro cytotoxic assays and therefore rationalize the binding interactions. In silico ADME and toxicity experiment were shown that all synthesized compounds have good oral bioavailability and free from toxicity.