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

Int J Mol Sci. 2016 Jan 15;17(1):113. doi: 10.3390/ijms17010113.

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.

Keywords: Alzheimer’s disease (AD); INVDOCK; icariin; network pharmacology.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Amino Acid Sequence
  • Animals
  • Drugs, Chinese Herbal / chemistry
  • Drugs, Chinese Herbal / pharmacology*
  • Flavonoids / chemistry
  • Flavonoids / pharmacology*
  • Humans
  • Molecular Docking Simulation*
  • Molecular Sequence Data
  • Neuroprotective Agents / chemistry
  • Neuroprotective Agents / pharmacology*
  • Protein Binding
  • Proteome / chemistry*
  • Proteome / metabolism
  • tau Proteins / chemistry*
  • tau Proteins / metabolism

Substances

  • Drugs, Chinese Herbal
  • Flavonoids
  • Neuroprotective Agents
  • Proteome
  • tau Proteins
  • icariin