M. Kinger

Fused Triazolopyridazines: Synthesis, Characterization, Molecular Docking, and Anticancer Evaluation Against Breast Cancer Cell Line MDA‐MB‐231

A series of fused [1,2,4]triazolo[4,3‐b]pyridazine derivatives was synthesized via hypervalent iodine‐mediated oxidative cyclization of hydrazone intermediates using iodobenzene diacetate under mild, metal‐free conditions. This method was applied to diverse 6‐(4‐nitrophenyl)‐substituted triazolopyridazines with various aryl and heteroaryl groups, producing the target compounds in good to excellent yields with broad substrate tolerance. All compounds were characterized by FT‐IR, 1 H NMR, 13 C NMR, and HRMS. Their antiproliferative activity was tested against the human triple‐negative breast cancer cell line MDA‐MB‐231 using the sulforhodamine B (SRB) assay. Compound 3c, containing a 3,4‐dimethoxyphenyl substituent, showed the highest activity, suggesting a beneficial effect of electron‐donating groups. Molecular docking against cancer‐related proteins showed favorable binding, especially with Topoisomerase IIα, though these computational results are preliminary and don't confirm the exact molecular target. This study presents an efficient synthesis strategy and identifies compound 3c as a promising lead for further biological and medicinal chemistry research.

Pyrazole-Triazole Schiff Bases: Hybrid Molecular Frameworks with Promising Antimicrobial Activity

Synthesis of triazolopyridazine derivatives using iodobenzene diacetate and evaluation of their anticancer activity against MCF-7 breast cancer cells

This study reports an efficient synthesis of 6-(4-methoxyphenyl)-3-aryl-[1,2,4]triazolo[4,3-b]pyridazine derivatives via oxidative cyclization of the corresponding hydrazones using iodobenzene diacetate as a mild and metal-free oxidizing agent. The structures of the synthesized compounds were confirmed by 1H NMR, 13C NMR, FTIR, and mass spectrometry. Their in vitro anticancer activity was evaluated against the MCF-7 breast cancer cell line, where four compounds (7a, 7c, 7d, and 7f) exhibited notable cytotoxic effects. Molecular docking studies suggested favorable binding interactions of these compounds with several cancer-related targets, including human 17β-hydroxysteroid dehydrogenase, topoisomerase IIα, p73 tetramerization domain, Bcl2-xL, EGFR tyrosine kinase, and survivin. Docking of the complete compound series (7a-7j) further supported the observed activity trends. These findings indicate that triazolopyridazine derivatives represent promising scaffolds for further investigation as anticancer agents. IBD was used as an environment friendly reagent for the synthesis of 1,2,4-triazolo[4,3-b]pyridazines by oxidative cyclization of hydrazone derivatives. 1,2,4-Triazoles showed excellent anticancer activity against breast cancer Michigan Cancer Foundation-7 (MCF-7) cells. The molecular docking studies were carried out with several enzymes associated with breast cancer to find the effective binding of the synthesized compounds.