Network Understanding of Herb Medicine via Rapid Identification of Ingredient-Target Interactions

作者：Zhang Hai Ping; Pan Jian Bo; Zhang Chi; Ji Nan; Wang Hao; Ji Zhi Liang^*

来源：Scientific Reports, 2014, 4(1): 3719.

DOI：10.1038/srep03719

Today, herb medicines have become the major source for discovery of novel agents in countermining diseases. However, many of them are largely under-explored in pharmacology due to the limitation of current experimental approaches. Therefore, we proposed a computational framework in this study for network understanding of herb pharmacology via rapid identification of putative ingredient-target interactions in human structural proteome level. A marketing anti-cancer herb medicine in China, Yadanzi (Brucea javanica), was chosen for mechanistic study. Total 7,119 ingredient-target interactions were identified for thirteen Yadanzi active ingredients. Among them, about 29.5% were estimated to have better binding affinity than their corresponding marketing drug-target interactions. Further Bioinformatics analyses suggest that simultaneous manipulation of multiple proteins in the MAPK signaling pathway and the phosphorylation process of anti-apoptosis may largely answer for Yadanzi against non-small cell lung cancers. In summary, our strategy provides an efficient however economic solution for systematic understanding of herbs' power.

• 出版日期2014-1-16
• 单位厦门大学