HNO/NO conversion mechanisms of Cu-based HNO probes with implications for Cu,Zn-SOD

Matthew A. Michael, Gianna Pizzella, Liu Yang, Yelu Shi, Tiffany Evangelou, Daniel T. Burke, Yong Zhang

Research output: Contribution to journalArticlepeer-review

21 Scopus citations

Abstract

HNO has broad biological effects and pharmacological activities. Direct HNO probes for in vivo applications were recently reported, which are Cu II-based complexes having fluorescence reporters with reaction to HNO resulting in CuI systems and the release of NO. Their coordination environments are similar to that in Cu,Zn-superoxide dismutase (SOD), which plays a significant role in cellular HNO/NO conversion. However, none of these conversion mechanisms are known. A quantum chemical investigation was performed here to provide structural, energetic, and electronic profiles of HNO/NO conversion pathways via the first CuII-based direct HNO probe. Results not only are consistent with experimental observations but also provide numerous structural and mechanistic details unknown before. Results also suggest the first HNO/NO conversion mechanism for Cu,Zn-SOD, as well as useful guidelines for future design of metal-based HNO probes. These results shall facilitate development of direct HNO probes and studies of HNO/NO conversions via metal complexes and metalloproteins.

Original languageEnglish
Pages (from-to)1022-1026
Number of pages5
JournalJournal of Physical Chemistry Letters
Volume5
Issue number6
DOIs
StatePublished - 20 Mar 2014

Keywords

  • Cu,Zn-SOD
  • HNO
  • NO
  • mechanism
  • quantum chemical calculation

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