Synthesis, Antiproliferative, and Molecular Docking Studies of 3-Mercapto-1,2,4-Triazole Derivatives as Combretastatin A-4 Analogs

In the present work, a series of 1,2,4-triazole derivatives are designed as combretastatin A-4 analogs with the 4-nitrophenyl group and different aliphatic alkyl substituents, the designed compounds were synthesized and characterized by FT-IR, 1H NMR,13C NMR spectroscopy, and mass spectrometry. The synthesized compounds were tested as antiproliferative agents against human cancer laryngeal (Hep-2) cell line, the cytotoxicity of the synthesized compounds was evaluated by the treatment of a human normal kidney (Vero) cell line. The obtained results revealed that compound 5c, which has a n-propyl substituent, is the most active one and has lowest cytotoxicity against normal cells. This compound has the lowest IC50 value within the tested series; consequently, compound 5c could be considered a promising antiproliferative agent and a good candidate for further pharmacological studies. Molecular docking studies were implemented to determine the affinity of the synthesized compound toward the colchicine binding site.