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dc.contributor.advisorJon, Våbenø
dc.contributor.authorAbera, Natnael
dc.date.accessioned2009-10-26T08:14:43Z
dc.date.available2009-10-26T08:14:43Z
dc.date.issued2009-06-12
dc.description.abstractThe GPCR CXCR4 is a chemokine receptor that by activation of its natural ligand SDF-1α is involved in the pathology of several diseases like cancer metastasis, leukemia cell progression and rheumatoid arthritis. The finding that CXCR4 plays a critical role for HIV-1 entry into T cells prompts additional motivation for the design of CXCR4 inhibitor. The establishment of the possible binding mode(s) for the cyclopentapeptide FC131 is decisive for the development of such inhibitor. Induced fit docking, which allowed flexibility for both the ligand and receptor structure, was used to generate ligand-receptor complexes. The resulting poses were compared based on their XP score and two ligand binding modes were suggested. In addition to this, mutational analysis on three CXCR4 residues which are believed to be important for HIV infection of T cells was performed.en
dc.format.extent680287 bytes
dc.format.mimetypeapplication/pdf
dc.identifier.urihttps://hdl.handle.net/10037/2204
dc.identifier.urnURN:NBN:no-uit_munin_1956
dc.language.isoengen
dc.publisherUniversitetet i Tromsøen
dc.publisherUniversity of Tromsøen
dc.rights.accessRightsopenAccess
dc.rights.holderCopyright 2009 The Author(s)
dc.subject.courseIDFAR-3901nor
dc.subjectVDP::Matematikk og naturvitenskap: 400::Kjemi: 440::Fysikalsk kjemi: 443en
dc.subjectChemokine receptorsen
dc.subjectCXCR4 antagonisten
dc.subjectFC131en
dc.subjectCPPen
dc.subjectInduced fit dockingen
dc.subjectVDP::Medisinske fag: 700::Basale medisinske, odontologiske og veterinærmedisinske fag: 710::Medisinsk molekylærbiologi: 711en
dc.titleInvestigations of binding mode for the cyclopentapeptide CXCR4 antagonist FC131 by induced fit dockingen
dc.typeMaster thesisen
dc.typeMastergradsoppgaveen


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