AI Article Synopsis
- A series of novel 5-phenyl-1H-pyrazol derivatives were synthesized, including a cinnamamide moiety, to evaluate their potential as tubulin polymerization inhibitors.
- Compound 5j was identified as the most effective, showing an IC50 value of 1.02 μM, outperforming the reference drug Colchicine (IC50 = 1.34 μM).
- Docking simulations and a 3D-QSAR model were used to analyze the binding of compound 5j to tubulin and to aid in the design of more effective tubulin inhibitors.
Article Abstract
A series of novel 5-phenyl-1H-pyrazol derivatives (5a-5x) containing cinnamamide moiety were synthesized and their biological activities as potential tubulin polymerization inhibitors were evaluated. Among them, compound 5j exhibited the most potent inhibitory activity with an IC50 value of 1.02 μM for tubulin, which was superior to that of Colchicine (IC50 = 1.34 μM). Docking simulation was performed to insert compound 5j into the crystal structure of tubulin at colchicine binding site to determine the probable binding model. 3D-QSAR model was also built to provide more pharmacophore understanding that could be used to design new agents with more potent tubulin inhibitory activity.
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| http://dx.doi.org/10.1016/j.ejmech.2015.02.018 | DOI Listing |
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