Synthesis, in Silico Evaluation of ADME/T Properties, as well as Antioxidant, Antibacterial, Anti-Inflammatory, and Anticancer Activities of Methyl(2-(phenylethynyl)phenyl)sulfane

Abstract

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<inf>50</inf> 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. © 2025 Elsevier B.V., All rights reserved.