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Probing Binding Modes of Small Molecule Inhibitors to the Polo-Box Domain of Human Polo-like Kinase 1

  1. Author:
    Liao, C. Z.
    Park, J. E.
    Bang, J. K.
    Nicklaus, M. C.
    Lee, K. S.

  2. Author Address

    [Park, Jung-Eun; Lee, Kyung S.] NCI, Lab Metab, Ctr Canc Res, NIH, Bethesda, MD 20892 USA. [Liao, Chenzhong; Nicklaus, Marc C.] NCI, Biol Chem Lab, Ctr Canc Res, NIH, Frederick, MD 21702 USA. [Bang, Jeong K.] Korean Basic Sci Inst, Ochang 363883, Chung Buk, South Korea.;Lee, KS, NCI, Lab Metab, Ctr Canc Res, NIH, Bethesda, MD 20892 USA.;kyunglee@mail.nih.gov
    1. Year: 2010
    2. Date: Jun
  2. Journal: Acs Medicinal Chemistry Letters
    1. 1
    2. 3
    3. Pages: 110-114
  4. Type of Article: Article
  5. ISSN: 1948-5875
  1. Abstract:

    Purpurogallin (PPG, 2) and poloxin (3) have been reported as inhibitors of the polo-box domain (PBD) of human polo-like kinase 1. However, our experimental results demonstrated that PPG, but not poloxin, binds to the phospho-binding pocket of the PBD, suggesting that their modes of PBD inhibition are distinct. Induced fit docking analyses led us to propose that PPG fills the SpT pocket via pi-pi stacking and hydrogen-bonding interactions, thus providing a rationale for designing novel PBD inhibitors. In contrast, poloxin may fill a different site present near the SpT pocket by forming a covalent bond with a nucleophilic Cys residue.

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External Sources

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  2. DOI: 10.1021/ml100020e
  3. View record in Web of Science®
  4. WOS: 000281134700005

Library Notes

  1. Fiscal Year: FY2009-2010
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