Synthesis, in Silico Pharmaceutical Properties, Anticancer and Anti-Inflammatory Activities of Novel Benzo[b]thiophene Derivative

Sulfur-containing compounds have various biological functions, the most important of which are anti-inflammatory and anticancer effects. This study provides the first evaluation of the biological potential of a novel benzothiophene derivative, 3-iodo-2-phenylbenzo[b]thiophene (IPBT), with a special focus on its cytotoxic, anticancer, cell migration, colony formation and anti-inflammatory properties. The EC50 values ​​of IPBT were determined in MDA-MB-231, HepG2, LNCaP, Caco-2, Panc-1, HeLa and Ishikawa cancer cell lines (126.67, 67.04, 127.59, 63.74, 76.72, 146.75 and 110.84 respectively). The compound was found to induce apoptosis by activating the expression levels of pro-apoptotic genes (BAX, CASP3, CASP8, CASP9, and P53) in cancer cells and effectively inhibit cell migration and colony formation. IPBT also significantly reduced inflammatory responses (Nitric oxide production) in LPS-induced RAW264.7 macrophage cells by proinflammatory genes (COX-2, iNOS, TNF-α, and IL-6). These findings suggest that IPBT may be a promising candidate for cancer treatment as well as a therapeutic agent for controlling inflammation and tissue repair.