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

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Lv PC, Li DD, Li QS, Lu X, Xiao ZP, Zhu HL

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. Epub 2011 Jul 14.

PubMed ID
21802290 [ View in PubMed
]
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-y l)thiazole (11) displayed the most potent EGFR TK inhibitory activity with IC(50) of 0.06 muM, 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 muM, which would be a potential anticancer agent.

DrugBank Data that Cites this Article

Binding Properties
DrugTargetPropertyMeasurementpHTemperature (°C)
ErlotinibEpidermal growth factor receptorIC 50 (nM)30N/AN/ADetails