Structural, computational, docking and biological studies of a triaminopyrimidine caspase-1 inhibitor

Kyle A. Grice, Zoe M. Varsbergs, Yingjie Zhang, Sarah K. Zingales, Adam R. Johnson, Roger D. Sommer, Caitlin E. Karver

Research output: Contribution to journalArticlepeer-review

Original languageEnglish
Article number139297
JournalJournal of Molecular Structure
Volume1318
DOIs
StatePublished - Dec 15 2024
Externally publishedYes

ASJC Scopus Subject Areas

  • Analytical Chemistry
  • Spectroscopy
  • Organic Chemistry
  • Inorganic Chemistry

Keywords

  • Caspase-1
  • DFT
  • Docking
  • Triaminopyrimidines
  • X-ray crystallography

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