Acta Phys. -Chim. Sin. ›› 2013, Vol. 29 ›› Issue (07): 1415-1420.doi: 10.3866/PKU.WHXB201304171

• THEORETICAL AND COMPUTATIONAL CHEMISTRY • Previous Articles     Next Articles

Study on Mechanism of the Reduning Injection on the Influenza Virus Using Network Pharmacology Method

ZHANG Xin-Zhuang1, XIAO Wei2, XU Xiao-Jie3, WANG Zhen-Zhong2, CAO Ling2, SUN Lan2   

  1. 1 College of Pharmacy, Nanjing University of Chinese Medicine, Nanjing 210046, P. R. China;
    2 National Key Laboratory of Pharmaceutical New Technology for Chinese Medicine, Kanion Pharmaceutical Corporation, Lianyungang 222002, Jiangsu Province, P. R. China;
    3 College of Chemistry and Molecular Engineering, Peking University, Beijing 100871, P. R. China
  • Received:2013-02-22 Revised:2013-04-17 Published:2013-06-14
  • Contact: XIAO Wei, XU Xiao-Jie E-mail:xw_kanion@163.com;xiaojxu@pku.edu.cn
  • Supported by:

    The project was supported by the“Innovative Drug Development”Key Project of the Ministry of Science and Technology of China (2011ZX09304).

Abstract:

The mechanisms of the Reduning injection on the influenza virus were studied by computer methods at the molecular level, including docking and network analysis. A neuraminidase (NA) activity assay was used to verify the predicted results in vitro. Results show that most of the compounds in the Reduning injection exhibit good drug-like properties. The mechanism of the Reduning injection may be that it affects viral entry, RNA synthesis, or viral release, which limits influenza virus replication. Potential active molecules of the Reduning injection were found by analyzing the network parameters of compound-target interaction networks. The experimental results suggest that of the potential active molecules, luteolin displayed significant inhibitory activity toward the influenza A virus, while quercetin proved less effective, which supports the predicted results.

Key words: Network pharmacology, Reduning, Influenza virus, Traditional Chinese medicine, Neuraminidase

MSC2000: 

  • O641