| Xuebijing injection is a traditional Chinese preparation with the main ingredients extracted from Flos Carthami, Radix Paeoniae Rubra, Rhizoma Chuanxiong, Radix Salviae Miltiorrhizae and Radix Angelicae Sinensis. It is a prescription for removing blood stasis and relieving toxic substance, mainly used for the treatment of sepsis. It reflects the rule of the characteristics and advantages of TCM by multi-component, multi-channel, multi-link, multi-target and the combination treatment of "bacteria (germs), toxin (LPS), inflammation (inflammatory mediators).Currently, it has been reported that Xuebijing injection can effectively prevent and treat sepsis both in experimental as well as clinical settings. while the precise mechanism remains to be elucidated as it contains hundreds of chemical components, the material basis of its real efficacy also uncertain.To address this issue, The paper drew a map on the network effects of sepsis, and selected a series of drug targets involved in sepsis. The targets are divided into three groups as monarch, minister, assistant in TCM theory according to their roles in sepsis network. Using computer aided drug design (CADD) consisting of homology modeling, molecular docking etc, virtual screening is carried out to search for the Xuebijing molecules that potentially affect the sepsis targets. An aggregate analysis is then performed to evaluate the chemical compositions of Xuebijing molecules. And there are a certain number of compounds have the potential effect on 17 sepsis targets.Our research gives a molecular description of the multi-target effect and a pharmacodynamics material basis of Xuebijing's effect. On the other hand, as multi-target could be a new trend in the field of drug design, our research points the way to discove new entities for sepsis drug design.
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