Synthesis, Characterization, and Molecular Docking of Novel Isatin-thiosemicarbazone containing 1,2,3-triazole Derivatives as Potential Anti-cancer Agents

To improve the activity of isatin-1,2,3-triazole hybrids as anticancer agents, new derivatives of isatin-thiosemicarbazone-1,2,3-triazoles 9-16 were designed and synthesized via the condensation of isatin-1,2,3-triazole hybrids 1-8 with thiosemicarbazide. Spectral and elemental analysis confirmed the structure of the prepared derivatives 9-16. Also, as anticancer agents, the latter derivatives were screened against three human cancerous cell lines: human lung fibroblast (WI38), colorectal carcinoma colon cancer (HCT-116), and mammary gland breast cancer (MCF-7). Doxorubicin, a standard control, was used to compare viable cell percentages and IC50 values. In general, derivatives 12 and 16 revealed a higher potency against the three human cancerous cell lines. Finally, the molecular descriptors of compounds 12 and 16 were correlated with their observed cytotoxicity.