Characterization and Molecular Docking Study of New 4-Acetamidoalkyl Pyrazoles As B-Raf /Cox-2 Inhibitors |
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Authors: | A Vafaee A Davoodnia M R Bozorgmehr M Pordel |
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Institution: | 1.Department of Chemistry, Mashhad Branch,Islamic Azad University,Mashhad,Iran |
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Abstract: | Several new 4-acetamidoalkyl pyrazoles are synthesized by an efficient, one-pot three-component reaction of 3,5-dimethyl-1-phenyl-1H-pyrazole or 3-methyl-1-phenyl-1H-pyrazol-5-ol, aromatic aldehydes, and acetonitrile in the presence of chlorosulfonic acid at room temperature. The products are characterized based on IR, 1H and 13C NMR data and evaluated as potential COX-2 and B-Raf inhibitors by molecular docking studies. All the products showed the potency of B-Raf and COX-2 inhibitory effects with a greater binding affinity to B-Raf than COX-2 protein. |
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