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

30 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

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