Differentiating Serine and Cysteine Protease Mechanisms by New Covalent QSAR Descriptors

Michael Shokhen, Tamar Traube, Subramaniam Vijayakumar, Michal Hirsch, Neta Uritsky, Amnon Albeck

Research output: Contribution to journalArticlepeer-review

15 Scopus citations

Abstract

QSAR-A mechanistic tool for proteases: New covalent QSAR descriptors for enzyme inhibition, W1 and W2, serve as mechanistic tools in the study of Ser and Cys proteases, providing support to an ionic tetrahedral complex for the former and a neutral (protonated) tetrahedral complex for the latter.

Original languageEnglish
Pages (from-to)1023-1026
Number of pages4
JournalChemBioChem
Volume12
Issue number7
Early online date24 Mar 2011
DOIs
StatePublished - 2 May 2011

Keywords

  • Alpha-ketoheteroaromatics
  • Covalent inhibitors
  • Enzyme mechanism
  • Molecular modeling
  • Structure-activity relationships

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