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Molecules 2014, 19(6), 7104-7121; doi:10.3390/molecules19067104

Synthesis and Biological Evaluation of Novel 2-Arylalkylthio-5-iodine-6-substituted-benzyl-pyrimidine-4(3H)-ones as Potent HIV-1 Non-Nucleoside Reverse Transcriptase Inhibitors

1
Department of Chemical Biology, School of Pharmaceutical Sciences, Peking University, Beijing 100191, China
2
State Key Laboratory of Natural and Biomimetic Drugs, Peking University, Beijing 100191, China
*
Authors to whom correspondence should be addressed.
Received: 30 April 2014 / Revised: 26 May 2014 / Accepted: 28 May 2014 / Published: 30 May 2014
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Abstract

A novel series of 2-arylalkylthio-5-iodine-6-substitutedbenzyl-pyrimidine-4(3H)-ones (S-DABOs) 8ax had been synthesized via an efficient method. Their biological activity against HIV virus and RT assay were evaluated. Some compounds, especially 8h, 8l and 8n, displayed promising activity against HIV-1 RT with IC50 values in a range of 0.41 μM to 0.71 μM, which were much better than that of nevirapine. Molecular modeling studies revealed that the binding mode would be affected via forming an additional hydrogen bond by incorporating an oxygen atom on the C-2 side chain. The biological activity was in accordance with the docking results. View Full-Text
Keywords: HIV; NNRTIs; S-DABOs; IC50; docking HIV; NNRTIs; S-DABOs; IC50; docking
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This is an open access article distributed under the Creative Commons Attribution License (CC BY 3.0).

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MDPI and ACS Style

Zhang, L.; Tang, X.; Cao, Y.; Wu, S.; Zhang, Y.; Zhao, J.; Guo, Y.; Tian, C.; Zhang, Z.; Liu, J.; Wang, X. Synthesis and Biological Evaluation of Novel 2-Arylalkylthio-5-iodine-6-substituted-benzyl-pyrimidine-4(3H)-ones as Potent HIV-1 Non-Nucleoside Reverse Transcriptase Inhibitors. Molecules 2014, 19, 7104-7121.

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