Science China Chemistry

, Volume 53, Issue 11, pp 2337–2342 | Cite as

Computational network pharmacological research of Chinese medicinal plants for chronic kidney disease



The interaction between drug molecules and target proteins is the basis of pharmacological action. The pharmacodynamic mechanism of Chinese medicinal plants for chronic kidney disease (CKD) was studied by molecular docking and complex network analysis. It was found that the interaction network of components-proteins of Chinese medicinal plants is different from the interaction network of components-proteins of drugs. The action mechanism of Chinese medicinal plants is different from that of drugs. We also found the interaction network of components-proteins of tonifying herbs is different from the interaction network of components-proteins of evil expelling herbs using complex network research approach. It illuminates the ancient classification theory of Chinese medicinal plants. This computational approach could identify the pivotal components of Chinese medicinal plants and their key target proteins rapidly. The results provide data for development of multi-component Chinese medicine.


chronic kidney disease traditional Chinese medicine (TCM) molecular docking complex network 


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Copyright information

© Science China Press and Springer-Verlag Berlin Heidelberg 2010

Authors and Affiliations

  1. 1.Guangdong Hospital of Traditional Chinese MedicineGuangzhouChina
  2. 2.College of Chemistry and Molecular EngineeringPeking UniversityBeijingChina

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