Synthesis, cytotoxic evaluation, and molecular docking of novel triazolopyridazine-pyrazole derivatives as potential anticancer agents

2026-03-17

PRE

Sandeep Malik

Soni, Rinku

Sihag, Monika

Rani, Neha

Mayank Kinger

Miglani, Monika

Deepak Kumar Aneja *

DOI：10.1007/s13738-026-03396-z

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Abstract

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Breast cancer remains a leading cause of cancer mortality, demanding new chemotherapeutic options. A novel series of triazolopyridazine-pyrazole derivatives (11a-h) was synthesized and evaluated for cytotoxicity against MCF-7 breast cancer cells. Sulforhodamine B assay results identified compound 11e as the only active derivative, exhibiting moderate inhibition with a GI50 of 52 & micro;g/mL, while all others were inactive (GI50 > 80 & micro;g/mL). Molecular docking provided mechanistic support, revealing that 11e had the highest affinity for EGFR (PDB ID: 1M17; -10.1 kcal/mol, H-bond with MET769), along with strong interactions with Bcl-2 (2W3L; -9.9 kcal/mol) and p73 (2WTT; -9.5 kcal/mol). These findings suggest that 11e may exert anticancer effects via multi-target modulation, positioning it as a promising scaffold for further optimization.

Keywords:

Pyrazole

Triazole

Hydrazone

Anticancer

MCF-7 cells

Molecular Docking

Synthesis, cytotoxic evaluation, and molecular docking of novel triazolopyridazine-pyrazole derivatives as potential anticancer agents

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