Combining network pharmacology, machine learning, molecular docking and molecular dynamic to explore the mechanism of Chufeng Qingpi decoction in treating schistosomiasis.

Journal: Frontiers in cellular and infection microbiology
PMID: 39310787

Abstract

BACKGROUND: Although the Chufeng Qingpi Decoction (CQD) has demonstrated clinical effectiveness in the treatment of schistosomiasis, the precise active components and the underlying mechanisms of its therapeutic action remain elusive. To achieve a profound comprehension, we incorporate network pharmacology, bioinformatics analysis, molecular docking, and molecular dynamics simulations as investigative methodologies within our research framework.

Authors

  • Minglu Liu
    Emergency Department, The Second Hospital of Dalian Medical University, Dalian, Liaoning, China.
  • Yuxin Wang
    The Key Laboratory of Food Safety Risk Assessment, Ministry of Health, China National Center for Food Safety Risk Assessment, Beijing 100021, China. Electronic address: wangyx@cfsa.net.cn.
  • Wen Deng
    Department of Urology, The First Affiliated Hospital of Nanchang University, Nanchang, China.
  • Jiahao Xie
    State Key Laboratory of Integrated Optoelectronics, College of Materials Science and Engineering, Jilin University, Changchun 130012, China.
  • Yanyao He
    Research and Teaching Department of Comparative Medicine, Dalian Medical University, Dalian, Liaoning, China.
  • Liang Wang
    Information Department, Dazhou Central Hospital, Dazhou 635000, China.
  • Jianbin Zhang
    School of Mechanical Engineering and Automation, Beihang University, Beijing 100191, China.
  • Ming Cui
    Department of Radiation Oncology Gastrointestinal and Urinary and Musculoskeletal Cancer, 74665Cancer Hospital of China Medical University, Shenyang, Liaoning, China.

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