20.500.12556/RUL-142958 Next-generation heterocyclic electrophiles as small-molecule covalent MurA inhibitors Heterocyclic electrophiles as small covalent fragments showed promising inhibitory activity on the antibacterial target MurA (UDP-N-acetylglucosamine 1-carboxyvinyltransferase, EC:2.5.1.7). Here, we report the second generation of heterocyclic electrophiles: the quaternized analogue of the heterocyclic covalent fragment library with improved reactivity and MurA inhibitory potency. Quantum chemical reaction barrier calculations, GSH (L-glutathione) reactivity assay, and thrombin counter screen were also used to demonstrate and explain the improved reactivity and selectivity of the N-methylated heterocycles and to compare the two generations of heterocyclic electrophiles. covalent inhibitor heterocyclic electrophiles cysteine labelling quaternization MurA kovalentni inhibitor heterociklični elektrofili označevanje cisteina kvaternizacija MurA true false true Angleški jezik Slovenski jezik Članek v reviji 2022-12-06 10:19:37 2022-12-06 10:19:39 2022-12-07 03:32:26 0000-00-00 00:00:00 2022 0 0 10 str. iss. 12, art. 1484 Vol. 15 2022 0000-00-00 Zaloznikova Objavljeno NiDoloceno 0000-00-00 0000-00-00 0000-00-00 615.4:54:615.28 1424-8247 10.3390/ph15121484 132462339 pharmaceuticals-15-01484.pdf pharmaceuticals-15-01484.pdf 1 837815CF2EC59D610E8C57F0CD6BD7A2 e96c1148dde4f1063da0b983c2368055177956c681c38d717241ce7d7b6e2d58 c992c2d1-7547-11ed-9c94-00155dcfd717 https://repozitorij.uni-lj.si/Dokument.php?lang=slv&id=164543 https://www.mdpi.com/1424-8247/15/12/1484 1 faa8af32-7546-11ed-9c94-00155dcfd717 https://repozitorij.uni-lj.si/Dokument.php?lang=slv&id=164541 Fakulteta za farmacijo 0 0 0