QSAR modeling and characterization of drugs inducing liver cancer based on mutagenicity and molecular initiating event of AOPs

DOI
  • KUROSAKI Kota
    Department of Medical Molecular Informatics, Meiji Pharmaceutical University
  • MASHIYAMA Yuhei
    Department of Medical Molecular Informatics, Meiji Pharmaceutical University
  • SASAKI Shunichi
    Department of Medical Molecular Informatics, Meiji Pharmaceutical University
  • MATSUZAKA Yasunari
    Department of Medical Molecular Informatics, Meiji Pharmaceutical University
  • NAGAI Junko
    Department of Medical Molecular Informatics, Meiji Pharmaceutical University
  • UESAWA Yoshihiro
    Department of Medical Molecular Informatics, Meiji Pharmaceutical University

Bibliographic Information

Other Title
  • 変異原性・有害性発現経路に基づく肝がん誘発薬物予測QSARモデルの構築及び特徴解析

Abstract

<p> Many cases of liver cancer have been reported in databases as adverse drug reaction. However, many unclear points on the mechanism of pathogenesis exist. Therefore, we have attempted to define hepatoma-inducing drugs by FAERS and developed a machine learning prediction model for these groups of drugs using chemical structure descriptors, mutagenicity, and agonist/antagonist activity against nuclear receptors and response pathways. By examining this prediction model, various chemical structures and bioactivity information related to the induction of liver cancer have been estimated.</p>

Journal

Details 詳細情報について

  • CRID
    1390567172568471296
  • NII Article ID
    130007898514
  • DOI
    10.14869/toxpt.47.1.0_p-97s
  • Text Lang
    ja
  • Data Source
    • JaLC
    • CiNii Articles
  • Abstract License Flag
    Disallowed

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