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Selectivity of dopamine D1 and D2 receptor agonists – A combined computational approach


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Title: Selectivity of dopamine D1 and D2 receptor agonists – A combined computational approach
Authors: Malo, Marcus
E-mail: mmalo@chem.gu.se
maloster@gmail.com
Issue Date: 26-Oct-2012
University: University of Gothenburg. Faculty of Science
Institution: Department of Chemistry ; Institutionen för kemi
Parts of work: I. Selective pharmacophore models of dopamine D₁ and D₂ full agonists based on extended pharmacophore features. Malo M., Brive L, Luthman K., Svensson P. ChemMedChem. 2010, 5 (2), 232-46.
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II. Investigation of D₂ receptor-agonist interactions using a combination of pharmacophore and receptor homology modeling. Malo M., Brive L., Luthman K., Svensson P. ChemMedChem 2012, 7 (3), 471-82.
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III. Investigation of D₁ receptor-agonist interactions and D₁/D₂ agonist selectivity using a combination of pharmacophore and receptor homology modeling. Malo M., Brive L., Luthman K., Svensson P. ChemMedChem 2012, 7 (3), 483-494.
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IV. Development of 7TM receptor-ligand complex models using ligandbiased, semi-empirical helix-bundle repacking in torsion space: Application to the agonist interaction of the human dopamine D2 receptor. Malo M.,* Persson R.,* Svensson P., Luthman K., Brive L. Manuscript
Date of Defence: 2012-11-16
Disputation: Fredagen den 16 november 2012, kl. 9.00, KA-salen, Kemivägen 4
Degree: Doctor of Philosophy
Publication type: Doctoral thesis
Keywords: dopamine, agonists, GPCRs, pharmacophore modeling, protein structure modeling, agonist selectivity
Abstract: Dopamine (DA) is an endogenous neurotransmitter acting in the central nervous system. DA plays a key role in many vital brain functions such as behavior, cognition, motor activity, learning, and reward. Dopamine receptors belong to the rhodopsin like family of G-protein coupled receptors (GPCRs). There are five subtypes of DA receptors (D1-D5), which are further divided into two main families based on sequence similarities and their coupling to intracellular signaling (D1- and D2-like receptors)... more
ISBN: 978-91-628-8572-4
URI: http://hdl.handle.net/2077/30460
Appears in Collections:Doctoral Theses from University of Gothenburg / Doktorsavhandlingar från Göteborgs universitet
Doctoral Theses / Doktorsavhandlingar Institutionen för kemi och molekylärbiologi

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