Synthesis, molecular docking and evaluation of thiazolyl-pyrazoline derivatives as EGFR TK inhibitors and potential anticancer agents

  • Bioorg Med Chem Lett. 2011 Sep 15;21(18):5374-7. doi: 10.1016/j.bmcl.2011.07.010.
Peng-Cheng Lv  1 ,  Dong-Dong Li ,  Qing-Shan Li ,  Xiang Lu ,  Zhu-Ping Xiao ,  Hai-Liang Zhu
Affiliations
  • 1. State Key Laboratory of Pharmaceutical Biotechnology, Nanjing University, Nanjing 210093, People's Republic of China.
PMID: 21802290 DOI: 10.1016/j.bmcl.2011.07.010
Abstract

Fourty-two thiazolyl-pyrazoline derivatives were synthesized to screen for their EGFR kinase inhibitory activity. Compound 4-(4-chlorophenyl)-2-(3-(3,4-dimethylphenyl)-5-p-tolyl-4,5-dihydro-1H-pyrazol-1-yl)thiazole (11) displayed the most potent EGFR TK inhibitory activity with IC(50) of 0.06 μM, which was comparable to the positive control. Molecular docking results indicated that compound 11 was nicely bound to the EGFR kinase. Compound 11 also showed significant antiproliferative activity against MCF-7 with IC(50) of 0.07 μM, which would be a potential Anticancer agent.