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dc.contributor.advisorRavna, Aina Westrheim
dc.contributor.authorAntobreh, Gloria Tiwaa
dc.date.accessioned2020-05-16T13:52:51Z
dc.date.available2020-05-16T13:52:51Z
dc.date.issued2015-05-15
dc.description.abstractOxytocin has been shown to be implicated in psychiatric diseases such as depression, anxiety disorders, autism post-traumatic stress disorder, and schizophrenia. As a result, oxytocin can be used as a potential treatment for these brain disorders. However, oxytocin is a large peptide, and is therefore unable to cross the blood brain barrier. Thus, the development of new small non-peptide drugs would be of great benefit in the treatment of these neurological disorders. In this study, new non-peptide agonists have been proposed based on homology modeling and virtual ligand screening. There is no available experimentally solved structure of the oxytocin receptor; hence three models are constructed and refined using known 3D crystal structures of evolutionary related proteins (PDB: 2Y00, PDB: 4BVN and PDB: 4LDE). The ability of the three models to discriminate between true ligands and decoys was tested and analyzed using the Receiver operating characteristics (ROC) curve. A virtual ligand screening procedure was applied on the most suitable of the 3 models (4LDE-based model) in order to identify potential binding compounds that can be used as oxytocin receptor agonists. The results obtained from this study are 15 compounds, which can be tested in vivo and eventually used as potential drug candidates.en_US
dc.identifier.urihttps://hdl.handle.net/10037/18312
dc.language.isoengen_US
dc.publisherUiT Norges arktiske universiteten_US
dc.publisherUiT The Arctic University of Norwayen_US
dc.rights.accessRightsopenAccessen_US
dc.rights.holderCopyright 2015 The Author(s)
dc.subject.courseIDFAR-3911en_US
dc.subjectPharmacologyen_US
dc.subjectVDP::Medical disciplines: 700::Basic medical, dental and veterinary science disciplines: 710::Medical molecular biology: 711en_US
dc.subjectVDP::Medisinske Fag: 700::Basale medisinske, odontologiske og veterinærmedisinske fag: 710::Medisinsk molekylærbiologi: 711en_US
dc.subjectVDP::Medical disciplines: 700::Basic medical, dental and veterinary science disciplines: 710::Biopharmacy: 736en_US
dc.subjectVDP::Medisinske Fag: 700::Basale medisinske, odontologiske og veterinærmedisinske fag: 710::Biofarmasi: 736en_US
dc.subjectVDP::Medical disciplines: 700::Basic medical, dental and veterinary science disciplines: 710::Pharmacology: 728en_US
dc.subjectVDP::Medisinske Fag: 700::Basale medisinske, odontologiske og veterinærmedisinske fag: 710::Farmakologi: 728en_US
dc.titleMolecular modeling of 3D structure of the oxytocin receptor. Discovery of novel oxytocin receptor agonists via molecular docking studies.en_US
dc.typeMaster thesisen_US
dc.typeMastergradsoppgaveen_US


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