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Chunxin Zou 1, Wenyu Zhao 1, Zhiyang Yan 1, Xiaoxiao Huang 1,2*, Shaojiang Song 1, Xiaobo Wang 1,2*
Chunxin Zou 1, Wenyu Zhao 1, Zhiyang Yan 1, Xiaoxiao Huang 1,2*, Shaojiang Song 1, Xiaobo Wang 1,2*
摘要: Eurycoma longifolia as one of the most well-known folk medicines, belongs to Eurycoma genus of Simaroubaceae family. Pharmacology researches reported that E. longifolia has been widely used for its anticancer, antimalarial, aphrodisiac, antiinflammatory, and antibacterial activities. However, its system-level researches of drug-target associations is not enough. Here we employed molecular docking and network pharmacology methods to predict the effective compositions and its potential target proteins. Eight compounds in E. longifolia belonging to squalene derivatives, biphenyl neolignans and alkaloids were predicted to have potential activity for liver-cancer target proteins. Meanwhile, we analyzed the interaction mode of these active components with nuclear receptor coactivator 2 (3up3), which may be the pivotal target on inhibiting liver cancer. This article is presented to explore the active ingredients of E. longifolia and provide crucial material for the further research and development of the plant.