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

International Journal of Molecular Sciences
Zhijie CuiKailin Tang

Abstract

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 Ca(2+) homeostasis. Our results may provide assistance in understanding the molecular mechanism and further developing icariin into promising anti-AD agents.

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Software Mentioned

Molecular Operating Environment ( MOE )
INVDOCK
GOSemSim
Bioconductor

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