5H-8,9-dimethoxy-5-(2-N,N-dimethylaminoethyl)dibenzo[c,h][1,6] naphthyridin-6-ones and related compounds as TOP1-targeting agents: Influence of structure on the ternary cleavable complex formation

John E. Kerrigan, Daniel S. Pilch, Alexander L. Ruchelman, Nai Zhou, Angela Liu, Leroy-Fong Liu, Edmond J. LaVoie

研究成果: 雜誌貢獻文章同行評審

11 引文 斯高帕斯(Scopus)

摘要

In this paper, we present our results from a docking study of the title compounds with the DNA/topoisomerase I complex based on the recently published X-ray crystal structure of the topotecan/DNA/topoisomerase I ternary cleavable complex (Staker, B.L., et al. PNAS 2002, 99, 15387) using the Autodock program. Simple intermolecular docking energies (Edock) correlate well with in vitro DNA cleavage data suggesting that the binding mode from the crystal structure is a reasonable binding mode for these compounds.

原文英語
頁(從 - 到)3395-3399
頁數5
期刊Bioorganic and Medicinal Chemistry Letters
13
發行號20
DOIs
出版狀態已發佈 - 十月 20 2003
對外發佈Yes

ASJC Scopus subject areas

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

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