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Int. J. Mol. Sci. 2016, 17(1), 113; doi:10.3390/ijms17010113

In Silico Insight into Potential Anti-Alzheimer’s Disease Mechanisms of Icariin

School of Life Sciences and Technology, Tongji University, 1239 Siping Road, Shanghai 200092, China
Advanced Institute of Translational Medicine, Tongji University, 1239 Siping Road, Shanghai 200092, China
Author to whom correspondence should be addressed.
Academic Editor: Jesus De Julián Ortiz
Received: 1 December 2015 / Revised: 4 January 2016 / Accepted: 11 January 2016 / Published: 15 January 2016
(This article belongs to the Section Physical Chemistry, Theoretical and Computational Chemistry)
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Herbal compounds that have notable therapeutic effect upon Alzheimer's disease (AD) have frequently been found, despite the recent failure of late-stage clinical drugs. Icariin, which is isolated from Epimedium brevicornum, is widely reported to exhibit significant anti-AD effects in in vitro and in vivo studies. However, the molecular mechanism remains thus far unclear. In this work, the anti-AD mechanisms of icariin were investigated at a target network level assisted by an in silico target identification program (INVDOCK). The results suggested that the anti-AD effects of icariin may be contributed by: attenuation of hyperphosphorylation of tau protein, anti-inflammation and regulation of Ca2+ homeostasis. Our results may provide assistance in understanding the molecular mechanism and further developing icariin into promising anti-AD agents. View Full-Text
Keywords: icariin; Alzheimer’s disease (AD); INVDOCK; network pharmacology icariin; Alzheimer’s disease (AD); INVDOCK; network pharmacology

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Cui, Z.; Sheng, Z.; Yan, X.; Cao, Z.; Tang, K. In Silico Insight into Potential Anti-Alzheimer’s Disease Mechanisms of Icariin. Int. J. Mol. Sci. 2016, 17, 113.

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