magistrsko delo
Primož Banfi (Author), Črtomir Podlipnik (Mentor), Franc Požgan (Thesis defence commission member), Miha Lukšič (Thesis defence commission member)

Abstract

Knjižnice so glavni vir informacij, katerih uporaba je namenjena hranjenju zapisov, knjig, znanstvenih člankov in ostalih stvari povezanih z informacijami. Posledica razvoja znanosti je kopičenje novih informacij, kar je povzročilo razvoj knjižnic. Sočasno z razvojem znanosti so se razvile tudi specificirane knjižnice, tako so se ob razvoju kemijske znanosti oblikovale tudi knjižnice kemijskih spojin. Vzorci in podatki v knjižnicah spojin so med drugim namenjeni hranjenju spojin, dostopu do informacij, nadaljnji sintezi spojin, raziskavam novih materialov ali odkrivanju novih medicinskih učinkovin. V sklopu Fakultete za Kemijo in Kemijsko Tehnologijo Univerze v Ljubljani, se je leta 2018 oblikovala Knjižnica spojin FKKT. Knjižnica ima tako fizično knjižnico, kot virtualno knjižnico, v slednji so zabeležene strukture spojin iz fizične knjižnice spojin. V virtualni knjižnici so zavedeni še izračunani opisniki (»deskriptorji«) spojin. Knjižnica spojin FKKT je vodena ročno in vsebuje spojine sintetizirane na Fakulteti za Kemijo in Kemijsko tehnologijo. Vzorci v knjižnici spojin FKKT so pretežno organske narave. S pomočjo NMR analize vzorcev sem določil, da je čistih okrog 85 % spojin v knjižnici, medtem ko so ostali razpadli ali imajo prisotne nečistoče. Z virtualnim rešetanjem struktur iz virtualne knjižnice spojin smo analizirali potencial vzorcev v knjižnici za uporabo v medicini. Kot biološko pomembno tarčo smo uporabili 3CLpro, proteazo pomembno pri replikaciji virusa SARS-CoV-2. Rezultati so pokazali potencial določenih vzorcev, vendar so za natančnejše informacije o vzorcih potrebne dodatne podrobnejše analize na več različnih tarčah. Knjižnica spojin FKKT trenutno služi predvsem hranjenju vzorcev. Ob nadaljnjem širjenju knjižnice je pričakovana podrobnejša analiza vzorcev v knjižnici.

Keywords

knjižnice spojin;Knjižnica spojin FKKT;analiza spojin;čiste spojine;potencialna medicinska uporaba spojin;hranjenje vzorcev;magistrska dela;

Data

Language: Slovenian
Year of publishing:
Typology: 2.09 - Master's Thesis
Organization: UL FKKT - Faculty of Chemistry and Chemical Technology
Publisher: [P. Banfi]
UDC: 54(043.2)
COBISS: 97980675 Link will open in a new window
Views: 188
Downloads: 19
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Other data

Secondary language: English
Secondary title: COMPOUND LIBRARY PROCESSING AND APPLICATION
Secondary abstract: Libraries are the main source of notes, books, information and everything related to information. The development of libraries is a consequence of the development of science. The development of science was accompanied by the development of special libraries, which include chemical compound libraries. Compound storage, quick access to information, easy access to compounds, research on new materials, and research in medicine are just some of the purposes of chemical compound libraries. In 2018, the Faculty of Chemistry and Chemical Technology (FKKT) in Ljubljana opened its own chemical compounds library called "Knjižnica spojin FKKT". The library has a physical and a virtual form. The virtual compound library contains structures and some descriptors of the collected compounds. The FKKT chemical compound library is manually managed and contains compounds synthesized at FKKT. The samples stored in the FKKT chemical compound library are mainly organic. Using NMR analysis, it was determined that 85 % of the samples stored in the FKKT chemical compound library are pure. The remaining 15 % of the samples are contaminated or have decomposed prior to storage. By analyzing the structures from the virtual library, some potential pharmaceutical applications of the compounds were identified. In addition, molecular docking was performed. The biological target of the study was 3CLpro. 3CLpro is an important protease in the replication of the SARS-CoV-2 virus. The analysis provided some promising results. A more detailed analysis would be required to determine the further potential of the FKKT chemical compound library in medicine. Storage of active compounds is currently the primary purpose of the FKKT chemical compound library. In the future, as the number of compounds stored increases, a more detailed compound analysis is expected.
Secondary keywords: chemical compounds libraries;FCCT chemical compound library;pure samples;potential use in medicine;sample storage;Kemikalije;Univerzitetna in visokošolska dela;
Type (COBISS): Master's thesis/paper
Study programme: 1000375
Embargo end date (OpenAIRE): 1970-01-01
Thesis comment: Univ. v Ljubljani, Fak. za kemijo in kemijsko tehnologijo, smer Kemija
Pages: 171 str.
ID: 14503985