Abstract
ReDuNing injection (RDN) is a patented traditional Chinese medicine, and the components of it were proven to have antiviral and important anti-inflammatory activities. Several reports showed that RDN had potential effects in the treatment of influenza and pneumonia. Though there were several experimental reports about RDN, the experimental results were not enough and complete due to that it was difficult to predict and verify the effect of RDN for a large number of human diseases. Here we employed multiscale model by integrating molecular docking, network pharmacology and the clinical symptoms information of diseases and explored the interaction mechanism of RDN on human diseases. Meanwhile, we analyzed the relation among the drug molecules, target proteins, biological pathways, human diseases and the clinical symptoms about it. Then we predicted potential active ingredients of RDN, the potential target proteins, the key pathways and related diseases. These attempts may offer several new insights to understand the pharmacological properties of RDN and provide benefit for its new clinical applications and research.
Highlights
ReDuNing injection (RDN) is a patented traditional Chinese medicine, and the components of it were proven to have antiviral and important anti-inflammatory activities
With the rapid progress of bioinformatics, network pharmacology was proposed to be a promising way to understand the mechanism of TCM6–8, and it was successfully applied to analyze the anti-rheumatoid arthritis formulae Qing-Luo-Yin[9]
The Connectivity Map (CMAP) database contains more than 7,000 expression profiles representing treatments from 1,309 compounds[16], and it provides a useful tool for Traditional Chinese medicine (TCM) when combined with microarray analysis
Summary
ReDuNing injection (RDN) is a patented traditional Chinese medicine, and the components of it were proven to have antiviral and important anti-inflammatory activities. Zhang et al investigated the effect of RDN in the clinic for upper respiratory tract infections by using molecular docking, network analysis and cell-based assays[26] They identified 32 active ingredients and 38 potential targets. The above studies proved that RDN had some important effects in the therapy of several diseases such as influenza and upper respiratory tract infections, the results were still not complete due to that the category of disease was limited, and there were little reports about the effects of RDN for other human diseases such as cancer and inherited metabolic disease It may be because the mechanisms of these diseases are so complex that it is difficult to study their mechanisms using experimental methods. Most of the underlying principles of RDN were still unclear and it is necessary to be explored further by using other methods such as computer modeling
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