Synthesis, Molecular Docking and Anticancer Activity of Novel (E)-5-((1-phenyl-1H-1,2,3-triazol-4-YL)Methylene)-2-thioxothiazolidin-4-one Analogues

Document Type : Research Article


New Generation Materials Lab (NGML), Department of Science if Humanities, Vignan’s Foundation for Science Technology and Research (VFSTR) University, Vadlamudi, Guntur, Andhra Pradesh-522213, INDIA


A novel series of (E)-5-((1-Phenyl-1H-1,2,3-triazol-4-yl)methylene)-2-thioxothiazolidin-4-one analogues were designed for anticancer activity and synthesized by the reaction of 1-Aryl-1H-1,2,3-triazole-4-carbaldehydes with 2-thioxothiazolidin-4-one. The synthesized compounds were analyzed by IR, 1HNMR, 13CNMR, and mass spectrometry. The compounds were screened for in vitro anticancer activity using four cancer cell lines viz. Lung (A549), Colon (HT-29), Breast (MCF-7), and Melanoma (A375), resulted from most of the compounds showed moderate to better activity against all cell lines, among them the compounds 6g and 6j were the most potent in all investigated cancer cell lines (lung, colon, breast, and melanoma. The compounds were studied in molecular docking studies, which resulted in a significant dock score shown with all the compounds. The compounds 6i and 6b have shown the highest dock scores.


Main Subjects

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