Identification of a disruptor of the MDM2-p53 protein-protein interaction facilitated by high-throughput in silico docking

Harshani R. Lawrence, Zhenyu Li, M. L. Richard Yip, Shen Shu Sung, Nicholas J. Lawrence, Mark L. McLaughlin, Gregory J. McManus, Michael J. Zaworotko, Saïd M. Sebti, Jiandong Chen, Wayne C. Guida

    Research output: Contribution to journalArticlepeer-review

    35 Scopus citations

    Abstract

    NSC 333003 has been identified from the NCI Diversity Set as an inhibitor of the MDM2-p53 protein-protein interaction by in silico docking (virtual screening). Its potency and chemical characteristics render it well suited for lead optimization studies that can result in more potent analogs with improved drug-like properties. Its synthesis was achieved using an acid catalyzed condensation reaction from commercially available benzothiazole hydrazine and pyridyl phenyl ketone in refluxing methanol. Stereochemical implications for this compound are described.

    Original languageEnglish (US)
    Pages (from-to)3756-3759
    Number of pages4
    JournalBioorganic and Medicinal Chemistry Letters
    Volume19
    Issue number14
    DOIs
    StatePublished - Jul 15 2009

    All Science Journal Classification (ASJC) codes

    • Biochemistry
    • Molecular Medicine
    • Molecular Biology
    • Pharmaceutical Science
    • Drug Discovery
    • Clinical Biochemistry
    • Organic Chemistry

    Fingerprint

    Dive into the research topics of 'Identification of a disruptor of the MDM2-p53 protein-protein interaction facilitated by high-throughput in silico docking'. Together they form a unique fingerprint.

    Cite this