Design and Synthesis of Novel 1,2,3-Triazole Containing Thiadiazole Hybrids: A Potential Cytotoxic Scaffold and Their Molecular Modelling Studies.

ERK1 and ERK2 are ubiquitous, evolutionarily conserved serine threonine kinases that govern cellular signalling in both normal and pathological situations. ERK expression is essential for development and their hyper activation plays a significant role in the progression and development of cancer. Using a hybridization method, a series of new thiadiazole-triazole derivatives were synthesised and characterised using spectral data. These compounds were evaluated for anti-cancer activity against HT-1080 and A-549 cells using the MTT assay. All of the compounds suppressed cells well, and the findings were comparable to those of the standard doxorubicin. Compounds with substituted phenyl and 4-methoxyphenyl groups displayed enhanced anti-proliferative activity. The binding interactions of the compounds were further analysed using the molecular docking approach. Induced significant binding interactions with the ERK protein. Hence, these molecules can serve as promising for developing efficient drugs targeting ERK. [ABSTRACT FROM AUTHOR]