OICC Press Progress in Biomaterials 2194-0517 12 3 2023 09 30 Synthesis, in Silico Pharmaceutical Properties, Anticancer and Anti-Inflammatory Activities of Novel Benzo[b]thiophene Derivative 10.57647/pibm.2023.122315 EN Shayesteh Poorhosein Ghazi Mahaleh Department of Biology, Faculty of Science, Pamukkale University, Denizli 20160, Turkey https://orcid.org/0000-0003-3580-1687 Muheb. A. S. Algso Department of Chemistry, College of Science, University of Duhok, Duhok 42001, Iraq Omruye Ozok Arici Biomedical Engineering, Faculty of Engineering and Architectural Science, Eskisehir Osmangazi University, Eskisehir 26040, Turkey Arif Kivrak Department of Chemistry, Faculty of Science, Eskisehir Osmangazi University, Eskisehir 26040, Turkey Sevki Arslan Department of Biology, Faculty of Science, Pamukkale University, Denizli 20160, Turkey Journal Article 2023 09 30 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.