20.500.12556/DKUM-81532 Identifikacija prevladujočih skeletov v protibakterijskih učinkovinah diplomsko delo univerzitetnega študijskega programa I. stopnje Identification of dominant scaffolds in antibacterial compounds Protibakterijske učinkovine predstavljajo eno izmed najširše zastopanih zdravil. V drugi polovici 20. stoletja so antibiotiki doživeli razcvet, vendar pa je svet kmalu spoznal pereč problem: bakterijsko rezistenco. Hitra rast bakterijske odpornosti na antibiotike tudi dandanes zastavlja številne izzive pri odkrivanju novih vrst učinkovin, ki bi rešile to težavo. Namen tega diplomskega dela je predstaviti probleme, s katerimi se srečujemo pri razvoju novih protibakterijskih učinkovin ter prikazati možne rešitve. V diplomskem delu smo opisali terapijo bakterijskih okužb, razvoj rezistence in predstavili obstoječe razrede antibiotikov. Spoznali smo se z metodami analize struktur učinkovin in z njihovim vplivom na lastnosti same molekule. V nalogi smo analizirali skelete protibakterijskih in ostalih učinkovin, jih primerjali med sabo, predstavili najpogosteje zastopane skelete in jih umestili v kemijski prostor. Rezultati so pokazali, da se strukture skeletov in sam kemijski prostor dveh preučevanih skupin zdravil razlikujeta. Analizo smo razširili še na Gram-pozitivne in Gram-negativne organizme, ter tudi v tem primeru našli razlike v strukturi in porazdelitvi skeletov po kemijskem prostoru. Antibacterial compounds represent one of the most important types of therapeutics. In the second half of the 20th century, antibiotics flourished, but the world soon faced the problem of bacterial resistance. The rapid growth of bacterial resistance even today poses many challenges in discovering new types of antibacterial compounds. The purpose of this work was to present some of the problems in the novel antibacterial development. In this work, we described the therapy of bacterial infections, the development of resistance and presented the existing classes of antibiotics. We performed analysis of the chemical structures of antibacterials and their influence on the physico-chemical properties. Moreover, we analyzed antibacterial scaffolds and scaffolds of drugs for other indications. Most common scaffolds of both analyzed groups of registered drugs are presented and compared. We can conclude that molecular scaffolds and relating chemical spaces significantly differ between each other. The analysis was extended to antibacterials acting against Gram-positive and Gram-negative organisms, and even in this case, we observed differences in the structure and distribution of scaffolds in the chemical space. protibakterijske učinkovine antibiotiki molekulski skeleti kemijski prostor fizikalno-kemijske lastnosti spojin antibacterial compounds antibiotics molecular scaffolds chemical space physico-chemical properties true true false [U. Sušec] Slovenski jezik Angleški jezik Diplomsko delo/naloga 2022-04-08 18:28:41 2022-05-04 09:01:25 2022-08-10 00:34:15 0000-00-00 00:00:00 2022 0 Maribor 0 Maribor 1 spletni vir (1 datoteka PDF (XVI, 89 f.)) 0000-00-00 NiDoloceno NiDoloceno NiDoloceno 0000-00-00 0000-00-00 0000-00-00 604.4:615.281.9(043.2) 106747651 UN_Susec_Urska_2022.pdf UN_Susec_Urska_2022.pdf 1 C7E35E67B6D4A765167922FFF01E89ED 53c09a3dbb36ef258da7881b2c01425b493209397dc7f1d50aedcb303f7f7444 a434c0b0-cb2e-11ec-9b2e-00155d000105 20.500.12556/dkum/09b3c61c-bfc1-4800-afe4-7a0a9f450e6b https://dk.um.si/Dokument.php?lang=slv&id=157613 Fakulteta za kemijo in kemijsko tehnologijo 0 0 0