Anthrax lethal factor protease inhibitors: Synthesis, SAR, and structure-based 3D QSAR studies

Sherida L. Johnson, Dawoon Jung, Martino Forino, Ya Chen, Arnold Satterthwait, Dmitry V. Rozanov, Alex Y. Strongin, Maurizio Pellecchia

Research output: Contribution to journalArticle

54 Scopus citations

Abstract

We have recently identified a series of compounds that efficiently inhibit anthrax lethal factor (LF) metallo-protease. Here we present further structure-activity relationship and CoMFA (comparative molecular field analysis) studies on newly derived inhibitors. The obtained 3D QSAR model was subsequently compared with the X-ray structure of the complex between LF and a representative compound. Our studies form the basis for the rational design of additional compounds with improved activity and selectivity.

Original languageEnglish (US)
Pages (from-to)27-30
Number of pages4
JournalJournal of Medicinal Chemistry
Volume49
Issue number1
DOIs
StatePublished - Jan 12 2006

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ASJC Scopus subject areas

  • Molecular Medicine
  • Drug Discovery

Cite this

Johnson, S. L., Jung, D., Forino, M., Chen, Y., Satterthwait, A., Rozanov, D. V., Strongin, A. Y., & Pellecchia, M. (2006). Anthrax lethal factor protease inhibitors: Synthesis, SAR, and structure-based 3D QSAR studies. Journal of Medicinal Chemistry, 49(1), 27-30. https://doi.org/10.1021/jm050892j