亚洲传统医药

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A network-based pharmacology study on anti-hepatoma effect of the potential active constituents from Euphorbia fischeriana

Peiyuan Yang, Zhuoyang Cheng, Peng Zhao, Xiaoxiao Huang*   

  1. Department of Natural Products Chemistry, Key Laboratory of Computational ChemistryBased Natural Antitumor drug Research & Development, Ministry of Education, School of Traditional Chinese Materia Medica, Shenyang Pharmaceutical University, Shenyang 110016, PR China
  • 收稿日期:2018-10-28 修回日期:2019-02-09 出版日期:2019-06-20 发布日期:2019-02-09

A network-based pharmacology study on anti-hepatoma effect of the potential active constituents from Euphorbia fischeriana

Peiyuan Yang, Zhuoyang Cheng, Peng Zhao, Xiaoxiao Huang*   

  1. Department of Natural Products Chemistry, Key Laboratory of Computational ChemistryBased Natural Antitumor drug Research & Development, Ministry of Education, School of Traditional Chinese Materia Medica, Shenyang Pharmaceutical University, Shenyang 110016, PR China
  • Received:2018-10-28 Revised:2019-02-09 Online:2019-06-20 Published:2019-02-09
  • Contact: School of Traditional Chinese Materia, Key Laboratory of Computational Chemistry-Based Natural Antitumor Drug Research & Development, Liaoning Province, Shenyang Pharmaceutical University, Shenyang 110016, People’s Republic of China; Tel.: +86-24-23986486; Fax: +86-24-23986486.

摘要: Euphorbia fischeriana (Langdudaji in Chinese), a common traditional Chinese herbal medicine, has been used to treat cancer. It is well known that liver cancer is one of the most common malignant cancers worldwide. In this study, molecular docking and network analysis were carried out to explore the anticancer mechanism of active constituents from E. fischeriana as an effective therapeutic approach to treat liver cancer. Multiple active compounds of E. fischeriana were docked with 48 protein targets related with liver cancer. The networks of compound-target and target-pathway were constructed through network pharmacology analysis, predicting the relationships of active ingredients, significant targets and the key pathways. Our results demonstrated that Linoleic acid glyceride (FO7), Phytol (FO5), 3,4,6-tri-O-galloyl-D-glucose (FTa10), 3,7,11-tridecylenic acid-4,8,12-trimethyl formate (FO11), Ingenol-20-myristinate (FD96) might target with proteins associated with liver cancer. Furthermore, PI3K-Akt signaling pathway and MAPK signaling pathway might be the key pathways of the treatment of liver cancer. In addition, the interaction mode of these active components with nuclear receptor coactivator 2 (3up3) was analyzed.

关键词: Euphorbia fischeriana, liver cancer, molecular docking, network pharmacology

Abstract: Euphorbia fischeriana (Langdudaji in Chinese), a common traditional Chinese herbal medicine, has been used to treat cancer. It is well known that liver cancer is one of the most common malignant cancers worldwide. In this study, molecular docking and network analysis were carried out to explore the anticancer mechanism of active constituents from E. fischeriana as an effective therapeutic approach to treat liver cancer. Multiple active compounds of E. fischeriana were docked with 48 protein targets related with liver cancer. The networks of compound-target and target-pathway were constructed through network pharmacology analysis, predicting the relationships of active ingredients, significant targets and the key pathways. Our results demonstrated that Linoleic acid glyceride (FO7), Phytol (FO5), 3,4,6-tri-O-galloyl-D-glucose (FTa10), 3,7,11-tridecylenic acid-4,8,12-trimethyl formate (FO11), Ingenol-20-myristinate (FD96) might target with proteins associated with liver cancer. Furthermore, PI3K-Akt signaling pathway and MAPK signaling pathway might be the key pathways of the treatment of liver cancer. In addition, the interaction mode of these active components with nuclear receptor coactivator 2 (3up3) was analyzed.

Key words: Euphorbia fischeriana, liver cancer, molecular docking, network pharmacology