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Title:Študija in optimizacija vezave antikalinov na male molekule : diplomsko delo univerzitetnega študijskega programa I. stopnje
Authors:ID Špec, Alja (Author)
ID Jukič, Marko (Mentor) More about this mentor... New window
ID Bren, Urban (Comentor)
Files:.pdf UN_Spec_Alja_2024.pdf (1,95 MB)
MD5: 557377090C6FCCB8ADD3DEB9AFB14ECE
 
Language:Slovenian
Work type:Bachelor thesis/paper
Typology:2.11 - Undergraduate Thesis
Organization:FKKT - Faculty of Chemistry and Chemical Engineering
Abstract:V diplomskem delu smo raziskovali optimizacijo vezave anitkalina na majhno molekulo s tehniko molekulskega sidranja in in silico mutageneze. Osredotočili smo se na razumevanje, kako lahko specifične mutacije aminokislin znotraj antikalina vplivajo na njegove interakcije z različnimi ligandi. Pri tem smo s programskim jezikom Python pripravili skripto, ki nam je pomagala pri izvedbi in silico mutageneze aminokislinskih ostankov in oceno vezave med proteinom in ligandom. Rezultati so pokazali potencialno ugodne mutacije, ki bi lahko povečale vezavno afiniteto liganda. Tako smo pokazali enostavni postopek, s katerim lahko optimiziramo vezavo testnih ligandov na antikaline in s tem skrajšamo in vitro postopke oz. efektivneje izvajamo laboratorijsko delo. Ugotovitve diplomske naloge pa prispevajo tudi dragocen vpogled v podrobnosti interakcij ligand-protein, saj lahko vezavno mesto antikalinov omogoči visoko selektivnost za vezavo preučevanih malih molekul.
Keywords:in silico mutageneza, antikalini, molekulsko sidranje, lipokalinske strukture, vezavno mesto
Place of publishing:Maribor
Place of performance:Maribor
Publisher:[A. Špec]
Year of publishing:2024
Number of pages:1 spletni vir (1 datoteka PDF (IX, 40 f.))
PID:20.500.12556/DKUM-89262 New window
UDC:575.224.4+577.112.34(043.2)
COBISS.SI-ID:204923651 New window
Publication date in DKUM:15.07.2024
Views:275
Downloads:91
Metadata:XML DC-XML DC-RDF
Categories:KTFMB - FKKT
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Licences

License:CC BY-ND 4.0, Creative Commons Attribution-NoDerivatives 4.0 International
Link:http://creativecommons.org/licenses/by-nd/4.0/
Description:Under the NoDerivatives Creative Commons license one can take a work released under this license and re-distribute it, but it cannot be shared with others in adapted form, and credit must be provided to the author.
Licensing start date:01.07.2024

Secondary language

Language:English
Title:Study and optimisation of anticalin binding to small molecules
Abstract:In this thesis, we studied the optimisation of the binding of anticalins to small molecules using techniques of molecular docking and in silico mutagenesis. We examined how specific amino acid mutations within anticalins can affect their interactions with different ligands. In doing so, we used the Python programming language to preapare a script that helped us perform in silico mutagenesis of amino-acid residues and evaluate the binding between protein and ligand. The results indicated potentially advantageous mutations that would increase the binding affinity of the ligand. Thus, we demonstrated a simple procedure that can be applied to optimize the binding of test ligands to anticalins and thus shorten in vitro procedures or improve efficiency of laboratory work. The findings of this thesis also provide valuable insight into the details of ligand-protein interactions as the binding site of anticalins can facilitate high selectivity for the binding of investigated small molecules.
Keywords:in silico mutagenesis, anticalins, molecular docking, lipocalin scaffolds, binding sites


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