亚洲传统医药

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A network pharmacology approach to determine the active ingredients and potential targets of Chinese herb Juglans mandshurica Maxim. for treatment of lung cancer

Yeqing Du, Qiang Ren, Zhiyang Yan, Xiaoxiao Huang*, Shaojiang Song*   

  1. 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
  • 收稿日期:2018-03-07 出版日期:2019-02-20 发布日期:2018-05-15

A network pharmacology approach to determine the active ingredients and potential targets of Chinese herb Juglans mandshurica Maxim. for treatment of lung cancer

Yeqing Du, Qiang Ren, Zhiyang Yan, Xiaoxiao Huang*, Shaojiang Song*   

  1. 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:2018-03-07 Online:2019-02-20 Published:2018-05-15
  • 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)

摘要: Using molecular docking and computer network pharmacology, the active ingredients from the anticancer herb medicine, Juglans mandshurica Maxim, and the potential targets related to lung cancer were screened out rapidly. Compounds-targets network of J. mandshurica in lung cancer treatment was constructed based on the network analysis. Additionally, the intermolecular forces between the top ten active compounds and the key target protein were explored. At the systemic level, the active components, potential targets, and interactive relations of J. mandshurica in the treatment of lung cancer were studied.

关键词: Juglans mandshurica, network pharmacology, lung cancer

Abstract: Using molecular docking and computer network pharmacology, the active ingredients from the anticancer herb medicine, Juglans mandshurica Maxim, and the potential targets related to lung cancer were screened out rapidly. Compounds-targets network of J. mandshurica in lung cancer treatment was constructed based on the network analysis. Additionally, the intermolecular forces between the top ten active compounds and the key target protein were explored. At the systemic level, the active components, potential targets, and interactive relations of J. mandshurica in the treatment of lung cancer were studied.

Key words: Juglans mandshurica, network pharmacology, lung cancer