AI-driven determination of active compounds and investigation of multi-pharmacological effects of Chrysanthemi Flos.

Journal: Computers in biology and medicine
PMID: 39142224

Abstract

BACKGROUND: Chrysanthemi Flos as a medicine food homology species is widely used in the prevention and treatment of diseases, whereas comprehensive research of its active compounds related to multi-pharmacological effects remains limited. This study aimed to systematically explore the active compounds through artificial intelligence-based target prediction and activity evaluation.

Authors

  • Mengling Wang
    Department of Radiology, Tianjin Medical University Cancer Institute and Hospital, National Clinical Research Center for Cancer, Tianjin's Clinical Research Center for Cancer, Key Laboratory of Cancer Immunology and Biotherapy, Tianjin 300060, China.
  • Yongkang Wang
    College of Informatics, Huazhong Agricultural University, Wuhan 430070, China.
  • Lin He
    College of Plant Protection, Southwest University, Chongqing, China.
  • Ju Huang
    The First Affiliated Hospital of Shantou University Medical College, Shantou, Guangdong, 515041, China.
  • Yanying Tan
    School of Pharmaceutical Sciences, South-Central Minzu University, Wuhan, 430074, China.
  • Wen Zhang
    Oil Crops Research Institute, Chinese Academy of Agricultural Sciences Wuhan 430062 China peiwuli@oilcrops.cn zhangqi521x@126.com +86-27-8681-2943 +86-27-8671-1839.
  • Zhinan Mei
    College of Plant Science and Technology, Huazhong Agricultural University, Wuhan, 430070, China. Electronic address: meizhinan@163.com.
  • Hui Xiong
    Rutgers, The State University of New Jersey, NJ, USA.

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