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Identification of palytoxin-Ca2+ complex by NMR and molecular modeling techniques
- Source :
- The Journal of organic chemistry. 79(1)
- Publication Year :
- 2013
-
Abstract
- More than 40 years after its isolation, the understanding of how palytoxin interacts with biological systems has yet to be fully determined. The Na(+),K(+)-ATPase pump constitutes a molecular receptor for palytoxin that is able to convert the pump into an open channel, with consequent loss of cellular K(+) and remarkable rise of cytosolic Na(+) levels. In addition, a slight permeability to Ca(2+) is detected when palytoxin binds to the pump. It has been demonstrated that the increase of cytosolic free Ca(2+) concentration gives rise to downstream events ultimately leading to cell death. The widely accepted recognition of the dependence of important cellular events on calcium ion concentration propelled us to investigate the occurrence of palytoxin-Ca(2+) complex in aqueous solution by NMR- and molecular modeling-based approach. We identified two specific regions of palytoxin where Ca(2+) is preferentially coordinated. This study constitutes the first characterization of a calcium complex with palytoxin and, as such, is expected to support the investigation of the toxin molecular bioactivity.
- Subjects :
- Models, Molecular
Acrylamides
animal structures
Aqueous solution
Magnetic Resonance Spectroscopy
Molecular model
Organic Chemistry
chemistry.chemical_element
Calcium
Cytosol
chemistry.chemical_compound
Cnidarian Venoms
chemistry
Palytoxin
Cations
Biophysics
Sodium-Potassium-Exchanging ATPase
Calcium complex
Receptor
Subjects
Details
- ISSN :
- 15206904
- Volume :
- 79
- Issue :
- 1
- Database :
- OpenAIRE
- Journal :
- The Journal of organic chemistry
- Accession number :
- edsair.doi.dedup.....0b59420718c5dbdc2208bac7bc78a9d4