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Title:
Študij vezave peptidov na Fc regije protiteles : magistrsko delo
Authors:
ID
Smrekar, Žan
(Author)
ID
Bren, Urban
(Mentor)
More about this mentor...
ID
Jukič, Marko
(Comentor)
Files:
MAG_Smrekar_Zan_2023.pdf
(2,74 MB)
MD5: 183D531E5247D711179FE996D47D33FE
Language:
Slovenian
Work type:
Master's thesis/paper
Typology:
2.09 - Master's Thesis
Organization:
FKKT - Faculty of Chemistry and Chemical Engineering
Abstract:
Z uporabo računalniških pristopov in simulacij lahko uspešno modeliramo interakcije, ki so ključne pri razumevanju delovanja in razvoju novih zdravilnih učinkovin. Tekom razvoja se pojavljajo novi razredi peptidnih zdravil. Peptidi so sestavljeni iz verig aminokislinskih preostankov in zajemajo prednosti tako majhnih molekul kot tudi tarčno specifičnost večjih struktur, kot so proteini. Za načrtovanje novih potencialnih struktur peptidov smo tako uporabili računalniške in bioinformacijske pristope, kot je molekulsko sidranje. V magistrski nalogi smo se osredotočili na Fc regijo protiteles kot receptor. Načrtovali in identificirali smo potencialne tetrapeptide s strukturo, ki je podobna eksperimentalnim podatkom. Problema smo se lotili s pomočjo računalniških programov. Ustrezni receptor smo pridobili na prosto dostopnem spletnem mestu
https://www.rcsb.org/
(PDB ID: 5U52), za pripravo knjižnice struktur tetrapeptidov in analizo rezultatov smo uporabili analitično platformo KNIME, za molekulsko sidranje smo uporabili programsko opremo CmDock in za grafični vpogled ciljnih struktur računalniški program PyMol.
Keywords:
peptidi
,
Fc regija
,
molekulsko sidranje
,
KNIME Analytics Platform
,
PyMol
,
peptidno sidranje
Place of publishing:
Maribor
Place of performance:
Maribor
Publisher:
[Ž. Smrekar]
Year of publishing:
2023
Number of pages:
1 spletni vir (1 datoteka PDF (IX, 54 f.))
PID:
20.500.12556/DKUM-84049
UDC:
577.112.5.016(043.2)
COBISS.SI-ID:
157286915
Publication date in DKUM:
25.05.2023
Views:
642
Downloads:
94
Metadata:
Categories:
KTFMB - FKKT
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:
SMREKAR, Žan, 2023,
Študij vezave peptidov na Fc regije protiteles : magistrsko delo
[online]. Master’s thesis. Maribor : Ž. Smrekar. [Accessed 18 April 2025]. Retrieved from: https://dk.um.si/IzpisGradiva.php?lang=eng&id=84049
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Licences
License:
CC BY-NC-ND 4.0, Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International
Link:
http://creativecommons.org/licenses/by-nc-nd/4.0/
Description:
The most restrictive Creative Commons license. This only allows people to download and share the work for no commercial gain and for no other purposes.
Licensing start date:
03.04.2023
Secondary language
Language:
English
Title:
Study of peptide binding to antibody Fc region
Abstract:
Computer simulations enable us to examine complex interactions, which are crucial for understanding the mechanisms and the developtment of new active drugs. Lately, new peptide classes of drugs have been emerging. Peptides are composed of chains of amino-acid residues and capture the advantages of both small molecules as well as the target specificity of larger structures such as proteins. Computational and bioinformatics approaches were used to design new potential peptides, where we focused on Fc region of antibodies as the receptor. We designed and identified tetrapeptides with structures analogous to experimental studies. The corresponding receptor was obtained via
https://www.rcsb.org
database, the KNIME analytical platform was used to prepare the library of tetrapeptide structures and analyse the final results, the CmDock software was applied for molecular docking and the PyMol software for graphical analysis.
Keywords:
peptides
,
Fc region
,
molecular docking
,
KNIME Analytics Platform
,
PyMol
,
peptide docking
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