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Bioorg Med Chem Lett. 2012 Nov 1;22(21):6596-601. doi: 10.1016/j.bmcl.2012.09.004. Epub 2012 Sep 10.

Identification of novel 3,5-diarylpyrazoline derivatives containing salicylamide moiety as potential anti-melanoma agents.

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  • 1State Key Laboratory of Pharmaceutical Biotechnology, Nanjing University, Nanjing 210093, PR China.


There is an accumulating body of experimental evidences validating oncogenic BRAF(V600E) as a therapeutic target and offering opportunities for anti-melanoma drug development. Encouraged by the positive results of pyrazole derivatives as BRAF(V600E) inhibitors, we sought to design diverse novel potential BRAF(V600E) inhibitors as antitumor agents based on pyrazole skeleton. In silico and in vitro screening of our designed pyrazole derivatives has identified Hit 1 as BRAF(V600E) inhibitor. Based on its structure and through further structure modification, compound 25, which exhibited the most potent inhibitory activity with an IC(50) value of 0.16 μM for BRAF(V600E) and GI(50) value of 0.24 μM for mutant BRAF-dependent melanoma cells, was obtained. The 3D-QSAR models and the molecular docking simulation were introduced to analyze the structure-activity relationship.

Copyright © 2012 Elsevier Ltd. All rights reserved.

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