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Rupintrivir is a promising candidate for treating severe cases of Enterovirus-71 infection

AIM:To evaluate the suitability of rupintrivir against Enterovirus 71(EV71)induced severe clinical symptoms using computational methods. METHODS:The structure of EV71 3C protease was predicted by homology modeling.The binding free energies between rupintrivir and EV71 3C and human rhinovirus 3C prot...

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Bibliographic Details
Published in:World journal of gastroenterology : WJG 2010-01, Vol.16 (2), p.201-209
Main Authors: Zhang, Xiao-Nan, Song, Zhi-Gang, Jiang, Ting, Shi, Bi-Sheng, Hu, Yun-Wen, Yuan, Zheng-Hong
Format: Article
Language:English
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Summary:AIM:To evaluate the suitability of rupintrivir against Enterovirus 71(EV71)induced severe clinical symptoms using computational methods. METHODS:The structure of EV71 3C protease was predicted by homology modeling.The binding free energies between rupintrivir and EV71 3C and human rhinovirus 3C protease were computed by molecular dynamics and molecular mechanics Poisson-Boltzmann/ surface area and molecular mechanics generalized-born/ surface area methods.EV71 3C fragments obtained from clinical samples col...
ISSN:1007-9327
2219-2840
DOI:10.3748/wjg.v16.i2.201