Synthesis, In Silico Evaluation of ADME/T Properties, as well as Antioxidant, Antibacterial, Anti‐Inflammatory, and Anticancer Activities of Methyl(2‐(Phenylethynyl)Phenyl)Sulfane

Sulfur‐containing compounds exhibit diverse biological activities, including anti‐inflammatory, anticancer, antioxidant, antibacterial, and antidiabetic properties. In this study, for the first time, the biological properties of methyl(2‐(phenylethynyl)phenyl)sulfane (MPPS) , including its antioxidant, antimicrobial, cytotoxic, anti‐inflammatory, and anticancer activities, were evaluated. According to the results, MPPS did not show any remarkable antioxidant activity. However, MPPS demonstrated modest antimicrobial activity against S. aureus ATCC 25923 (MIC value: 512 µg/mL) and B. subtilis ATCC 6633 as well as other indicator strains (MIC value: 256 µg/mL). Additionally, the MBC values of MPPS were found to be 512 µg/mL for the two gram‐negative strains, E. coli ATCC 25922 and P. aeruginosa ATCC 27853. Furthermore, MPPS showed a dose‐dependent cytotoxic effect in all tested cell lines. The EC 50 values of MPPS were determined as 202.68 µM for PANC‐1, 226.63 µM for LNCaP, and 166.27 µM for Ishikawa cells, respectively. MPPS significantly inhibited colony formation and induced apoptosis in the cancer cell line. Moreover, MPPS exhibited notable anti‐inflammatory activity in RAW264.7 cells. These findings suggest that MPPS has potential for cancer treatment and as an anti‐inflammatory and antimicrobial agent. However, further studies are required to confirm these effects.