Prediction of the active ingredients and potential targets
of Chinese herb Juglans mandshurica Maxim. against
liver cancer based on network pharmacology

Prediction of the active ingredients and potential targets of Chinese herb Juglans mandshurica Maxim. against liver cancer based on network pharmacology

Yeqing Du, Rui Guo, Weiyu Zhou, Xiaoxiao Huang*, Shaojiang Song*

Department of Natural Products Chemistry, Key Laboratory of Structure-Based Drug Design and Discovery, Ministry of Education, School of Traditional Chinese Materia Medica, Shenyang Pharmaceutical University, Shenyang 110016, PR China

Received:2017-12-06 Revised:2018-01-11 Online:2018-04-20 Published:2018-01-11
Contact: School of Traditional Chinese Materia Medica, Shenyang Pharmaceutical University, 103 Wenhua Rd., Shenyang 110016, China; Tel.: +86-24-23986510 (Xiaoxiao Huang); E-mail: xiaoxiao270@163.com (Xiaoxiao Huang); School of Traditional Chinese Materia Medica, Shenyang Pharmaceutical University, 103 Wenhua Rd., Shenyang 110016, China; Tel.: +86-24-23986510 (Shaojiang Song); E-mail: songsj99@163.com (Shaojiang Song)

Abstract

Abstract: Juglans mandshurica Maxim. belongs to Juglans genus in the Juglandaceae family. It is shown from modern researches that J. mandshurica had multiple activities, and the anti-tumor activity of extracts of J.mandshurica was investigated by most researchers. However, few studies were did about anti-tumor effect of human hepatoma cells, and no systematic studies were did on anti-tumor mechanism. Therefore, it is of great significance to investigate the anti-hepatoma active ingredients of J. mandshurica from the perspective of systemic biology with the help of network pharmacology. In order to find active ingredients and identify the major targets of molecule, we used molecular docking and network pharmacology to construct molecule-target network maps. The results showed that bediarylheptanoids were the main active compounds with anti-hepatoma effect in the plants of J. mandshurica, and suggested that there were ten key targets of liver cancer. In order to illustrate the mechanism between compounds and targets, we used DS software to analyze intermolecular forces between three compounds (H79, H78, H84) and aceDAF-12. According to the results of DS, the mechanism of interaction between compounds and targets was clarified and revealed at the molecular level.

Key words: Juglans mandshurica, network pharmacology, liver cancer, molecular docking

Yeqing Du, Rui Guo, Weiyu Zhou, Xiaoxiao Huang, Shaojiang Song. Prediction of the active ingredients and potential targets of Chinese herb Juglans mandshurica Maxim. against liver cancer based on network pharmacology[J]. Asina Journal Of Traditional Medicines.

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