June 2013
Volume 54, Issue 15
Free
ARVO Annual Meeting Abstract  |   June 2013
Cabergoline and IOP: implications for structure-based drug discovery of selective dopaminergic ligands
Author Affiliations & Notes
  • Filippo Drago
    Clinical and Molecular Biomedicine, University of Catania, Catania, Italy
  • Chiara Bianca Maria Platania
    Clinical and Molecular Biomedicine, University of Catania, Catania, Italy
  • Giuseppina Marrazzo
    Clinical and Molecular Biomedicine, University of Catania, Catania, Italy
  • Gian Marco Leggio
    Clinical and Molecular Biomedicine, University of Catania, Catania, Italy
  • Claudio Bucolo
    Clinical and Molecular Biomedicine, University of Catania, Catania, Italy
  • Footnotes
    Commercial Relationships Filippo Drago, None; Chiara Bianca Maria Platania, None; Giuseppina Marrazzo, None; Gian Marco Leggio, None; Claudio Bucolo, Alfa-Intes (C)
  • Footnotes
    Support None
Investigative Ophthalmology & Visual Science June 2013, Vol.54, 1999. doi:
  • Views
  • Share
  • Tools
    • Alerts
      ×
      This feature is available to authenticated users only.
      Sign In or Create an Account ×
    • Get Citation

      Filippo Drago, Chiara Bianca Maria Platania, Giuseppina Marrazzo, Gian Marco Leggio, Claudio Bucolo; Cabergoline and IOP: implications for structure-based drug discovery of selective dopaminergic ligands. Invest. Ophthalmol. Vis. Sci. 2013;54(15):1999.

      Download citation file:


      © ARVO (1962-2015); The Authors (2016-present)

      ×
  • Supplements
Abstract
 
Purpose
 

To investigate the role of cabergoline, an anti-Parkinson agent, on intraocular pressure regulation using wild type (WT) and D3R knockout (KO D3R-/-) mice. Further, to assess the precise role of dopaminergic and serotonergic systems on IOP modulation, a computational structure-based study was also carried out.

 
Methods
 

WT and KO D3R-/- C57BL6J mice were used. Both mice were used with normal eye pressure or steroid-induced ocular hypertension. All animals were treated according to the ARVO statement for the use of animals in ophthalmic and vision research. Mice were treated with cabergoline at different concentration (0.01%, 0.1%, 1%, 5%) and IOP measured by tonometer. We modeled and optimized the structures of hD3, h5-HT1a, h5-HT2a, h5-HT2b, h5-HT2c receptors by homology modeling and by molecular dynamics respectively. Next we docked, using AutoDock 4.2, cabergoline into the binding sites of these receptors, and rescored the binding modes with DSX-score.

 
Results
 

Topical application of cabergoline significantly (p<0.01) decreased, in a dose-dependent manner, the intraocular pressure in WT mice both in an ocular normotensive group and an ocular hypertensive group. No change of intraocular pressure was observed after topical application of cabergoline in KO D3R-/- mice. High correlation (R2=0.92, Pearson=0.94 p=0.02) of DSX-scores compared to experimental Ki was obtained. Cabergoline binds better to the D3 receptor than to the analyzed serotonergic receptors both in computational and experimental studies.

 
Conclusions
 

The present study highlighted the dopaminergic system, particularly D3R subtype, as the major target of cabergoline to decrease IOP over the serotonergic system with relevant implications for structure-based drug discovery of selective dopaminergic ligands.

 
 
Binding modes of cabergoline interacting with hD3 and h5HT2a receptors. AU = arbitrary unit
 
Binding modes of cabergoline interacting with hD3 and h5HT2a receptors. AU = arbitrary unit
 
Keywords: 568 intraocular pressure • 502 dopamine • 675 receptors: pharmacology/physiology  
×
×

This PDF is available to Subscribers Only

Sign in or purchase a subscription to access this content. ×

You must be signed into an individual account to use this feature.

×