Jezik: | Slovenski jezik |
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Leto izida: | 2023 |
Tipologija: | 2.11 - Diplomsko delo |
Organizacija: | UM FKKT - Fakulteta za kemijo in kemijsko tehnologijo |
Založnik: | [B. Stradar] |
UDK: | 543.645.6:[604.4:615.331](043.2) |
COBISS: | 171018243 |
Št. ogledov: | 94 |
Št. prenosov: | 10 |
Ocena: | 0 (0 glasov) |
Metapodatki: |
Sekundarni jezik: | Angleški jezik |
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Sekundarni naslov: | Peptide antibody fc region binding optimization |
Sekundarni povzetek: | The development of new peptide active substances is a challenging task for the chemical and pharmaceutical industries. This can be facilitated with the use of computational approaches and simulations. With their help, we can successfully model the interactions that are key to understanding the activity and development of new active substances. Peptides capture the advantages of small molecules and the target specificity of larger structures such as proteins. In this thesis, computational and bioinformatics approaches such as molecular anchoring and chemoinformatics analysis have been used to design new potential peptide structures. For peptide design, we focused mainly on the target Fc region of antibodies where the corresponding structure was obtained from the freely available website https://www.rcsb.org/ (PDB ID: 5U52). We designed and identified candidate pentapeptides using structures from a previously designed tetrapeptide library. The top 100 previously identified tetrapeptides were used to prepare the pentapeptide structure library and analyse the results. Molecular anchoring was then performed using CmDock software. The data were then analysed using PyMOL and PLIP. The protocol used allowed a more efficient design of the pentapeptides and analysis of their potential binding conformations compared to the use of combinatorial libraries. |
Sekundarne ključne besede: | pentapeptides;Fc region;molecular docking;peptide docking; |
Vrsta dela (COBISS): | Diplomsko delo/naloga |
Komentar na gradivo: | Univ. v Mariboru, Fak. za kemijo in kemijsko tehnologijo |
Strani: | 1 spletni vir (1 datoteka PDF (IX, 40 f.)) |
ID: | 19919608 |