Articles

Science China Chemistry

, Volume 53, Issue 11, pp 2337-2342

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

  • Wei ZhuAffiliated withGuangdong Hospital of Traditional Chinese Medicine
  • , XiaoHui QiuAffiliated withGuangdong Hospital of Traditional Chinese Medicine
  • , XiaoJie XuAffiliated withGuangdong Hospital of Traditional Chinese MedicineCollege of Chemistry and Molecular Engineering, Peking University Email author 
  • , ChuanJian LuAffiliated withGuangdong Hospital of Traditional Chinese Medicine Email author 

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Abstract

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.

Keywords

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