[Exploring the potential molecular target proteins of yinchenhao decoction using computer systemic biology].

ABSTRACT

OBJECTIVE: To predict the potential molecular target proteins of Yinchenhao decocation by computer systems biology approaches. METHODS: For text mining, TCMGeneDIT was used to retrieve association information regarding genes or proteins, Artemisiae scopariae of 17 main compounds absorbed into blood after oral administration of Yinchenhao decoction, target identificetion and analysis was conducted to determine the target proteins of those compounds using PharmMapper sever. The proteins which had direct interaction with predictive target proteins were selected by screening BIND, BioGRID, DIP, HPRD, IntAct, MINT database. RESULTS: Four and eight proteins were found to respectively associate with Artemisiae scopariae herba and Rhei radix et rhizome. Six components including rhein, emodin, 6, 7-dimethoxy coumarin not only directly interacted with target proteins which were proved by experiments, but also interacted with other related proteins. Eight components such as isofradin-3-O-glycoside could only play assistant roles by interacting with related proteins. CONCLUSION: The result provides useful information for further research. It is expected it would be helpful for understanding the molecular mechanism of Yinchenhao decoction. Taken together, the protocol developed in the study may lead to a deeper understanding of a system as a whole in the mechanism of Chinses formula.