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Titel
Novel ligands for GPR39 using virtual screening
VerfasserVorhofer, Elisabeth
Betreuer / BetreuerinnenSchuster, Daniela
Erschienen2018
HochschulschriftInnsbruck, Univ., Diplomarb., 2018
Datum der AbgabeSeptember 2018
SpracheEnglisch
DokumenttypDiplomarbeit
Schlagwörter (DE)GPR39 / 5-HT1a / pharmacophore modeling / camd
Schlagwörter (EN)GPR39 / 5-HT1a / pharmacophore modeling / camd
URNurn:nbn:at:at-ubi:1-25673 Persistent Identifier (URN)
Zugriffsbeschränkung
 Das Werk ist frei verfügbar
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Novel ligands for GPR39 using virtual screening [4.96 mb]zip [135.74 mb]
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Zusammenfassung (Englisch)

The present work gives attention to G-protein-coupled receptor 39 (GPR39), which is so far suggested to be involved in endocrine and metabolic functions as well as various functions in the central nervous system (CNS), amongst others the development of depressive disorders.

The aim was to find new ligands for GPR39 by the use of pharmacophore modeling. In addition it was attempted to find ligands that bind not only GPR39 but also 5-HT 1a , which can be important in the treatment of CNS disorders.

Therefore literature was searched for known active and inactive ligands for both receptors to create pharmacophore models. These models were used to screen large databases for new molecules to localize potentially active ligands within the large range of already known and commercially available substances.

The employed methods and programs are stated and the generated models and their refinement are presented as well as the screening results.

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