Synthesis, Molecular Docking, and Anticancer Activity of New Thiophene Linked 1,2,4-Triazolo[4,3-b]pyridazine Derivatives Against the MCF-7 Human Breast Carcinoma Cell Line

被引：0

作者：

M. Sihag ^{[1
]}

R. Soni ^{[1
]}

N. Rani ^{[1
]}

S. Malik ^{[1
]}

K. Bhardwaj ^{[1
]}

M. Kinger ^{[1
]}

M. Miglani ^{[2
]}

D. K. Aneja ^{[1
]}

机构：

[1] Department of Chemistry, Chaudhary Bansi Lal University, Bhiwani

[2] Department of Biotechnology, Chaudhary Bansi Lal University, Bhiwani

来源：

Russian Journal of General Chemistry | 2025年 / 95卷 / 4期

关键词：

1,2,4-triazole; anticancer activity; hydrazone; hypervalent iodine reagents; MCF-7 cell line; molecular docking;

D O I：

10.1134/S1070363224613413

中图分类号：

学科分类号：

摘要：

Abstract: In order to develop compounds with anticancer potential, a novel series of 3-aryl-6-(thiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine derivatives was synthesized. The synthesis was carried out via the use of environmentally benign hypervalent iodine reagent in aqueous media. The SRB assay was employed for the evaluation of anti-cancer potential against MCF-7 carcinoma cell line. Compounds with furan and 2,5-dimethoxyphenyl substituents at the triazole ring showed admirable anticancer potential with GI50 value less than 10 μg/mL. Compounds with 2-chlorophenyl, 3,4-dimethoxyphenyl, 4-methylphenyl and 4-isopropylphenyl substituents showed moderate potential with GI50 values of 14, 54, 77, and 51 respectively. The two most active compounds were further studied via molecular docking against six proteins (PDB ID: 1E31, 1FDW, 1M17, 2W3L, 5GWK, and 6CBZ). The calculated binding energies and interactions in silico studies indicated the synthesized compounds to be potential EGFR inhibitor. Overall, this study highlighted the potential of the newly prepared analogues as promising leads for further development. © Pleiades Publishing, Ltd. 2025.

引用

页码：884 / 901

页数：17

共 42 条

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