1,2,4-benzothiadiazine-1,1-dioxide Analogues: Iron-Catalyzed Synthesis, Cytotoxic Evaluation and in silico Assessment

Analogues of 1,2,4-benzothiadiazine-1,1-dioxide were synthesized using the iron catalysed step of nitro reduction, which is a key step in analogue synthesis for studying cytotoxic activity. The in vitro cytotoxic activity of the compounds was ascertained by the National Cancer Institute, and the in silico study was done against C5a (GPCR), EGFR, ILT3 and ERβ1. NMR, LCMS, and IR spectroscopy were used for the characterization of the compounds. Many compounds showed considerable activity. BTZ-27 was highlighted as the most significant of the synthesized compounds. BTZ-27 displayed the greatest cytotoxicity effect on leukaemia and non-small cell lung cancer cell lines and had an antiproliferative effect on leukaemia and prostate cancer cell lines. BTZ-24, BTZ-26 and BTZ-28 showed considerable antiproliferative effects on leukaemia, melanoma and prostate cancer cell lines. The in silico study supported the in vitro study and brought forward a new idea for designing new potent compounds.