Scholarlink

<p>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&#xa0;µg/mL, while all others were inactive (GI50 &gt; 80&#xa0;µg/mL). Molecular docking provided mechanistic support, revealing that 11e had the highest affinity for EGFR (PDB ID: 1M17; ˗10.1&#xa0;kcal/mol, H-bond with MET769), along with strong interactions with Bcl-2 (2W3L; ˗9.9&#xa0;kcal/mol) and p73 (2WTT; ˗9.5&#xa0;kcal/mol). These findings suggest that 11e may exert anticancer effects <i>via</i> multi-target modulation, positioning it as a promising scaffold for further optimization.</p> Graphical abstract <p></p>

错误：搜索内容不能为空，请输入英文关键词
错误：关键词超出字数限制，请精简
高级检索

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

  • 期刊论文

  • 发表日期：

    2026年3月17日

查看全文
  • Sandeep Malik,
  • Rinku Soni,
  • Monika Sihag,
  • Neha Rani,
  • Mayank Kinger,
  • Monika Miglani,
  • Deepak Kumar Aneja

摘要

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 µg/mL, while all others were inactive (GI50 > 80 µg/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.

Graphical abstract