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Inventi Impact: Molecular Modeling

Articles

  • Inventi:pmm/24794/17
    Identification of Potent Chloride Intracellular Channel Protein 1 Inhibitors from Traditional\nChinese Medicine through Structure-Based Virtual Screening and Molecular Dynamics Analysis
    01-Jan-1970 Research 2018 : January - March
    Wei Wang, Minghui Wan, Dongjiang Liao, Guilin Peng, Xin Xu, Weiqiang Yin, Guixin Guo, Funeng Jiang, Weide Zhong, Jianxing He

    Chloride intracellular channel 1 (CLIC1) is involved in the development of most aggressive human tumors, including gastric, colon,\nlung, liver, and glioblastoma cancers. It has become an attractive new therapeutic target for several types of cancer. In this work, we\naim to identify natural products as potent CLIC1 inhibitors from Traditional Chinese Medicine (TCM) database using structurebased\nvirtual screening and molecular dynamics (MD) simulation. First, structure-based docking was employed to screen the\nrefined TCM database and the top 500 TCM compounds were obtained and reranked by

    How to Cite this Article
    CC Compliant Citation: Wei Wang, Minghui Wan, Dongjiang Liao, et al., â??Identification of Potent Chloride Intracellular Channel Protein 1 Inhibitors from Traditional Chinese Medicine through Structure-Based Virtual Screening and Molecular Dynamics Analysis,â? BioMed Research International, vol. 2017, Article ID 4751780, 10 pages, 2017. doi:10.1155/2017/4751780, https://creativecommons.org/licenses/by/4.0/.\n
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