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Molecules 2013, 18(5), 6057-6091; doi:10.3390/molecules18056057

Substituted 3-Benzylcoumarins as Allosteric MEK1 Inhibitors: Design, Synthesis and Biological Evaluation as Antiviral Agents

1, 2, 1, 1,* , 1, 2, 2, 1, 1 and 1,*
1 State Key Laboratory of Natural and Biomimetic Drugs, Department of Medicinal Chemistry,School of Pharmaceutical Science, Peking University Health Science Center,Beijing 100191, China 2 Department of Microbiology, School of Basic Medical Sciences, Peking University,Beijing 100191, China
* Authors to whom correspondence should be addressed.
Received: 25 April 2013 / Revised: 10 May 2013 / Accepted: 14 May 2013 / Published: 21 May 2013
(This article belongs to the Section Medicinal Chemistry)
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In order to find novel antiviral agents, a series of allosteric MEK1 inhibitors were designed and synthesized. Based on docking results, multiple optimizations were made on the coumarin scaffold. Some of the derivatives showed excellent MEK1 binding affinity in the appropriate enzymatic assays and displayed obvious inhibitory effects on the ERK pathway in a cellular assay. These compounds also significantly inhibited virus (EV71) replication in HEK293 and RD cells. Several compounds showed potential as agents for the treatment of viral infective diseases, with the most potent compound 18 showing an IC50 value of 54.57 nM in the MEK1 binding assay.
Keywords: MEK1 inhibitor; coumarin; antiviral MEK1 inhibitor; coumarin; antiviral
This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.


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Wang, C.; Zhang, H.; Xu, F.; Niu, Y.; Wu, Y.; Wang, X.; Peng, Y.; Sun, J.; Liang, L.; Xu, P. Substituted 3-Benzylcoumarins as Allosteric MEK1 Inhibitors: Design, Synthesis and Biological Evaluation as Antiviral Agents. Molecules 2013, 18, 6057-6091.

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