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Molecules 2013, 18(5), 5059-5071; doi:10.3390/molecules18055059
Article

Novel Substituted Heteroaromatic Piperazine and Piperidine Derivatives as Inhibitors of Human Enterovirus 71 and Coxsackievirus A16

1,2,†
, 2,†
, 3
, 2
, 2
, 2
, 1
, 2,*  and 1,2,*
1 Key Laboratory of Structure-Based Drug Design and Discovery of the Ministry of Education, School of Pharmaceutical Engineering, Shenyang Pharmaceutical University, Shenyang 110016, Liangning, China 2 National Engineering Research Center for the Strategic Drugs, Beijing Institute of Pharmacology and Toxicology, Beijing 100850, China 3 Institute of Medicinal Biotechnology, Chinese Academy of Medical Sciences and Peking Union Medical College, Beijing 100050, China These authors contributed equally to this work.
* Authors to whom correspondence should be addressed.
Received: 19 April 2013 / Revised: 22 April 2013 / Accepted: 26 April 2013 / Published: 29 April 2013
(This article belongs to the Section Medicinal Chemistry)
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Abstract

A series of substituted heteroaromatic piperazine and piperidine derivatives were found through virtual screening based on the structure of human enterovirus 71 capsid protein VP1. The preliminary biological evaluation revealed that compounds 8e and 9e have potent activity against EV71 and Coxsackievirus A16 with low cytotoxicity.
Keywords: virtual screening; piperazine derivative; piperidine derivatives; anti-EV71 activity; anti-CVA16 activity virtual screening; piperazine derivative; piperidine derivatives; anti-EV71 activity; anti-CVA16 activity
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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Zhang, X.; Wang, H.; Li, Y.; Cao, R.; Zhong, W.; Zheng, Z.; Wang, G.; Xiao, J.; Li, S. Novel Substituted Heteroaromatic Piperazine and Piperidine Derivatives as Inhibitors of Human Enterovirus 71 and Coxsackievirus A16. Molecules 2013, 18, 5059-5071.

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