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master's thesis
In silico određivanje inhibitora ART1 enzima kod raka pluća ne-malih stanica metodom molekularnog pristajanja
Zagreb: University of Zagreb, Faculty of Food Technology and Biotechnology, 2023. urn:nbn:hr:159:498807
Krsnik, Antonia
University of Zagreb
Faculty of Food Technology and Biotechnology
Department of Biochemical Engineering
Section for Bioinformatics

Institutional repository: Repository of the Faculty of Food Technology and Biotechnology

Cite this document

Krsnik, A. (2023). In silico određivanje inhibitora ART1 enzima kod raka pluća ne-malih stanica metodom molekularnog pristajanja (Master's thesis). Zagreb: University of Zagreb, Faculty of Food Technology and Biotechnology. Retrieved from https://urn.nsk.hr/urn:nbn:hr:159:498807

Krsnik, Antonia. "In silico određivanje inhibitora ART1 enzima kod raka pluća ne-malih stanica metodom molekularnog pristajanja." Master's thesis, University of Zagreb, Faculty of Food Technology and Biotechnology, 2023. https://urn.nsk.hr/urn:nbn:hr:159:498807

Krsnik, Antonia. "In silico određivanje inhibitora ART1 enzima kod raka pluća ne-malih stanica metodom molekularnog pristajanja." Master's thesis, University of Zagreb, Faculty of Food Technology and Biotechnology, 2023. https://urn.nsk.hr/urn:nbn:hr:159:498807

Krsnik, A. (2023). 'In silico određivanje inhibitora ART1 enzima kod raka pluća ne-malih stanica metodom molekularnog pristajanja', Master's thesis, University of Zagreb, Faculty of Food Technology and Biotechnology, accessed 01 September 2024, https://urn.nsk.hr/urn:nbn:hr:159:498807

Krsnik A. In silico određivanje inhibitora ART1 enzima kod raka pluća ne-malih stanica metodom molekularnog pristajanja [Master's thesis]. Zagreb: University of Zagreb, Faculty of Food Technology and Biotechnology; 2023 [cited 2024 September 01] Available at: https://urn.nsk.hr/urn:nbn:hr:159:498807

A. Krsnik, "In silico određivanje inhibitora ART1 enzima kod raka pluća ne-malih stanica metodom molekularnog pristajanja", Master's thesis, University of Zagreb, Faculty of Food Technology and Biotechnology, Zagreb, 2023. Available at: https://urn.nsk.hr/urn:nbn:hr:159:498807

Metadata
TitleIn silico određivanje inhibitora ART1 enzima kod raka pluća ne-malih stanica metodom molekularnog pristajanja
Title (english)In silico determination of ART1 enzyme inhibitors in non-small cell lung cancer using molecular docking
AuthorAntonia Krsnik
MentorJanko Diminić (mentor)
MentorAntonio Starčević (pomoć pri izradi, neposredni voditelj)
Committee memberAnita Horvatić (predsjednik povjerenstva)
Committee memberAntonio Starčević (član povjerenstva)
Committee memberIgor Stuparević (član povjerenstva)
GranterUniversity of Zagreb
Faculty of Food Technology and Biotechnology
(Department of Biochemical Engineering)
(Section for Bioinformatics)
Zagreb
Defense date and country2023-07-07, Croatia
Scientific / art field,
discipline and subdiscipline		BIOTECHNICAL SCIENCES
Biotechnology
Abstract
Cilj ovog diplomskog rada bio je odrediti potencijalne inhibitore ART1 enzima kod raka pluća ne-malih stanica in silico metodom molekularnog pristajanja (engl. molecular docking). Katalitička domena ART1 enzima eksperimirana je na površini tumorskih stanica te posttranslacijskom modifikacijom P2X7 receptora CD8+ T imunoloških stanica koje se nalaze u blizini uzrokuje NAD induciranu smrt stanice (engl. NAD-induced cell death, NICD). Kao potencijalni inhibitori spomenutog ART1 enzima testirani su prirodni spojevi te strukturni analozi sintetskih spojeva koji su se pokazali kao inhibitori iste obitelji enzima u koje spada i ART1 enzim (PARP i MART enzimi). Molekularno pristajanje provedeno je na web poslužitelju SwissDock nakon čega je slijedila validacija rezultata u AutoDock programu. Na temelju rezultata molekularnog pristajanja, u uži izbor potencijalnih inhibitora izabrana su četiri spoja čija su svojstva zatim detaljnije razmotrena.
Abstract (english)
The aim of this master's thesis was to determine potential inhibitors of ART1 enzyme in non-small cell lung cancer (NSCLC) in silico using molecular docking. The catalytic domain of the ART1 enzyme is expressed on the surface of tumor cells and post-translational modification of the P2X7 receptor of nearby CD8+ T immune cells causes NAD-induced cell death. As potential inhibitors of the aforementioned ART1 enzyme, natural compounds and structural analogues of synthetic compounds were tested, which proved to be inhibitors of the same family of enzymes that include ART1 enzyme (PARP and MART enzymes). Molecular docking was carried out on the SwissDock web server followed by validation of the results in the AutoDock program. Based on the results of molecular docking, four compounds were shortlisted in the selection of potential inhibitors whose properties were then considered in more detail.
Keywords
Keywords (english)
Languagecroatian
URN:NBNurn:nbn:hr:159:498807
Study programmeTitle: Molecular Biotechnology
Study programme type: university
Study level: graduate
Academic / professional title: magistar/magistra inženjer/inženjerka molekularne biotehnologije (magistar/magistra inženjer/inženjerka molekularne biotehnologije)
Type of resourceText
File originBorn digital
Access conditionsOpen access
Terms of useLicence Attribution-NoDerivatives 4.0 International (CC BY-ND 4.0) icon
Created on2024-06-21 11:10:24