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.
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