title: [Simulation and Prediction of Material Foundation of Rhei Radix et Rhizoma for Ischemic Stroke Based on Molecular Docking Technology].
abstract: OBJECTIVE
  To apply molecular docking technology for virtual screening of active molecules of Rhei Radix et Rhizoma, and to explore the effective substances.
  
  
  METHODS
  21 key targets proteins related with cerebral ischemia with 52 compounds of Rhei Radix et Rhizoma based on molecular docking technology were combined to select active small molecules. Meanwhile, multi-component protein target network was established by software Cytoscape 2. 8. 1.
  
  
  RESULTS
  It was identified that 23 of those compounds had strong interactions with no less than 10 targets by virtual screening of molecular docking.
  
  
  CONCLUSIONS
  The method of virtual screening based on molecular docking can be used to find the active components of Rhei Radix et Rhizoma in treatment of cerebral ischemia. It provides the reference for research on multi-targets of Chinese medicine compound.
authors.forename: Li
authors.initials: L
authors.lastname: Lu
authors.forename: Qin-xiao
authors.initials: QX
authors.lastname: Guan
authors.forename: Yuan-xin
authors.initials: YX
authors.lastname: Tian
authors.forename: Jie-xin
authors.initials: JX
authors.lastname: Lin
authors.forename: Sheng-wang
authors.initials: SW
authors.lastname: Liang
authors.forename: Shu-mei
authors.initials: SM
authors.lastname: Wang
mesh_terms: D002545:Brain Ischemia / Q000188:drug therapy; D002544:Cerebral Infarction / Q000188:drug therapy; D004339:Drug Compounding; D004365:Drugs, Chinese Herbal / Q000737:chemistry*; D006801:Humans; D062105:Molecular Docking Simulation; D018517:Plant Roots / Q000737:chemistry*; D027343:Rhizome / Q000737:chemistry*; D012984:Software; D020521:Stroke / Q000188:drug therapy*
chemical_list: D004365:Drugs, Chinese Herbal