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master's thesis
Konformacijska analiza makrocikličkih molekula metodama spektroskopije NMR i molekulskog modeliranja
Zagreb: University of Zagreb, Faculty of Science, 2018. urn:nbn:hr:217:619489
Marjanović, Nera
University of Zagreb
Faculty of Science
Department of Chemistry

Institutional repository: Repository of the Faculty of Science

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Marjanović, N. (2018). Konformacijska analiza makrocikličkih molekula metodama spektroskopije NMR i molekulskog modeliranja (Master's thesis). Zagreb: University of Zagreb, Faculty of Science. Retrieved from https://urn.nsk.hr/urn:nbn:hr:217:619489

Marjanović, Nera. "Konformacijska analiza makrocikličkih molekula metodama spektroskopije NMR i molekulskog modeliranja." Master's thesis, University of Zagreb, Faculty of Science, 2018. https://urn.nsk.hr/urn:nbn:hr:217:619489

Marjanović, Nera. "Konformacijska analiza makrocikličkih molekula metodama spektroskopije NMR i molekulskog modeliranja." Master's thesis, University of Zagreb, Faculty of Science, 2018. https://urn.nsk.hr/urn:nbn:hr:217:619489

Marjanović, N. (2018). 'Konformacijska analiza makrocikličkih molekula metodama spektroskopije NMR i molekulskog modeliranja', Master's thesis, University of Zagreb, Faculty of Science, accessed 22 November 2024, https://urn.nsk.hr/urn:nbn:hr:217:619489

Marjanović N. Konformacijska analiza makrocikličkih molekula metodama spektroskopije NMR i molekulskog modeliranja [Master's thesis]. Zagreb: University of Zagreb, Faculty of Science; 2018 [cited 2024 November 22] Available at: https://urn.nsk.hr/urn:nbn:hr:217:619489

N. Marjanović, "Konformacijska analiza makrocikličkih molekula metodama spektroskopije NMR i molekulskog modeliranja", Master's thesis, University of Zagreb, Faculty of Science, Zagreb, 2018. Available at: https://urn.nsk.hr/urn:nbn:hr:217:619489

Metadata
TitleKonformacijska analiza makrocikličkih molekula metodama spektroskopije NMR i molekulskog modeliranja
Title (english)Conformational analysis of macrocycles using NMR spectroscopy and molecular modelling
AuthorNera Marjanović
MentorPredrag Novak (mentor)
MentorSanja Koštrun (mentor)
Committee memberPredrag Novak (predsjednik povjerenstva)
Committee memberBranimir Bertoša (član povjerenstva)
Committee memberIvana Biljan (član povjerenstva)
Committee memberTomislav Jednačak (član povjerenstva)
GranterUniversity of Zagreb
Faculty of Science
(Department of Chemistry)
Zagreb
Defense date and country2018-05-21, Croatia
Scientific / art field,
discipline and subdiscipline		NATURAL SCIENCES
Chemistry
Abstract
Da bi se spriječila ili potaknula aktivnost nekog proteina, potencijalni lijek mora ući u stanicu gdje se taj protein nalazi. Permeabilnost predstavlja mjeru sposobnosti lijeka da prođe kroz staničnu membranu. Neki makrociklički lijekovi mogu povećati svoju permeabilnost mijenjajući konformaciju u ovisnosti o sredini u kojoj se nalaze. Jedan od takvih „kameleonskih“ makrocikala je ciklosporin A. U ovom radu istraživani su utjecaj temperature i iona kalcija na konformaciju dva odabrana makrociklička lijeka (rifampicin i fidaksomicin), te su dobiveni rezultati uspoređivani s rezultatima dobivenim za ciklosporin A. Spektroskopija nuklearne magnetske rezonancije i molekulsko modeliranje korišteni su za generiranje najvjerojatnijih konformacijskih stanja in silico. Kompleksiranje metalnih iona s odabranim makrociklima dodatno je potvrđeno spektrometrijom masa.
Abstract (english)
In order to influence the activity of a target protein, the potential drug needs to enter the cell where that protein is located. Ability of a drug to penetrate cell membranes is called permeability. Some of the macrocyclic drugs can increase their permeability through change in their conformation triggered by different surroundings. One of the macrocycles for which it has been proven to have this “chameleonic” ability is Cyclosporin A. In this research, conformational changes caused by temperature increase and addition of metal ions were investigated for two other macrocyclic drugs (Rifampicin and Fidaxomicin). Final results were compared to the ones of Cyclosporin A. Experiments were performed using nuclear magnetic resonance spectroscopy and molecular modelling to generate most probable conformations in silico. Additionally, mass spectrometry was used to confirm the complexation of macrocycles with metal ions.
Keywords
Keywords (english)
Languagecroatian
URN:NBNurn:nbn:hr:217:619489
Study programmeTitle: Graduate university studies in chemistry; specializations in: Research programme
Course: Research programme
Study programme type: university
Study level: graduate
Academic / professional title: magistar/magistra kemije (magistar/magistra kemije)
Type of resourceText
File originBorn digital
Access conditionsOpen access
Terms of useLicence In copyright icon
Created on2018-06-05 08:37:15